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tert-butyl alcohol
(Q285790)
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From Wikidata
chemical compound
2-methyl-2-propanol
TBA
2M2P
t-butanol
2-methylpropan-2-ol
trimethyl carbinol
2-Methyl-2-Propanol
tertiary-butanol
tertiary butanol
tert-butanol
t-butyl alcohol
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
tert-butyl alcohol
chemical compound
2-methyl-2-propanol
TBA
2M2P
t-butanol
2-methylpropan-2-ol
trimethyl carbinol
2-Methyl-2-Propanol
tertiary-butanol
tertiary butanol
tert-butanol
t-butyl alcohol
Statements
instance of
type of chemical entity
0 references
subclass of
fatty alcohol
0 references
butanol
0 references
chemical structure
Tert-Butanol Structural Formula V.1.svg
229 × 175; 14 KB
0 references
image of molecular model or crystal lattice model
Tert-butanol-3D-balls.png
1,100 × 952; 191 KB
depicts
ball-and-stick model
0 references
mass
74.073
dalton
1 reference
stated in
PubChem
PubChem CID
6386
language of work or name
English
title
2-Methyl-2-propanol
(English)
retrieved
19 October 2016
associated hazard
tert-butyl alcohol exposure
0 references
has effect
tert-butyl alcohol exposure
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
chemical formula
C₄H₁₀O
1 reference
stated in
PubChem
PubChem CID
6386
language of work or name
English
title
2-Methyl-2-propanol
(English)
retrieved
19 November 2016
canonical SMILES
CC(C)(C)O
1 reference
stated in
PubChem
PubChem CID
6386
language of work or name
English
title
2-Methyl-2-propanol
(English)
retrieved
19 November 2016
ionization energy
9.7±0.1
electronvolt
series ordinal
1
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
9.97
electronvolt
series ordinal
1
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
molar enthalpy of vaporization
39.07
kilojoule per mole
temperature
355.5
kelvin
1 reference
reference URL
https://webbook.nist.gov/cgi/cbook.cgi?ID=C75650&Mask=4
density
0.79±0.01
gram per cubic centimetre
phase of matter
solid
temperature
20±1
degree Celsius
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
melting point
78±1
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
25
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
298.9
kelvin
1 reference
reference URL
https://cameochemicals.noaa.gov/chris/BAT.pdf
quotation
9.4 Freezing Point: 78.3°F = 25.7°C = 298.9°K [sic]
(English)
25.4
degree Celsius
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
boiling point
180±1
degree Fahrenheit
under pressure
760±1
torr
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
82.4
degree Celsius
under pressure
101.325
kilopascal
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
decomposition point
500
degree Celsius
1 reference
imported from Wikimedia project
Russian Wikipedia
vapor pressure
42±1
millimetre of mercury
temperature
77±1
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
pKa
17
temperature
unknown value
1 reference
reference URL
http://openmopac.net/pKa_table.html
refractive index
1.3974
temperature
unknown value
wavelength
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
flash point
52±1
degree Fahrenheit
determination method or standard
Pensky–Martens closed-cup test
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
autoignition temperature
480
degree Celsius
1 reference
imported from Wikimedia project
Russian Wikipedia
lower flammable limit
2.4±0.1
volume percent
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
upper flammable limit
8±1
volume percent
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
safety classification and labelling
NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response
NFPA Health
1
NFPA Fire
3
NFPA Instability
0
NFPA Special
no value
1 reference
imported from Wikimedia project
English Wikipedia
NIOSH Pocket Guide ID
0078
0 references
short-term exposure limit
450±1
milligram per cubic metre
applies to jurisdiction
no value
duration
15±1
minute
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
time-weighted average exposure limit
300±1
milligram per cubic metre
applies to jurisdiction
United States
duration
10±1
hour
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
immediately dangerous to life or health
4,848±1
milligram per cubic metre
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
found in taxon
Psidium guajava
1 reference
stated in
Volatile flavour components of guava
has characteristic
Class IB flammable liquid
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
flammable solid
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0078.html
Commons category
Tert-Butanol
0 references
Identifiers
GND ID
4318202-1
1 reference
imported from Wikimedia project
German Wikipedia
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
1 reference
stated in
PubChem
PubChem CID
6386
language of work or name
English
title
2-Methyl-2-propanol
(English)
retrieved
19 November 2016
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
6386
language of work or name
English
title
2-Methyl-2-propanol
(English)
retrieved
19 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
75-65-0
2 references
stated in
Global Substance Registration System
UNII
MD83SFE959
language of work or name
English
title
tert-butyl alcohol
(English)
retrieved
19 November 2016
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=75-65-0
ChemSpider ID
6146
1 reference
stated in
ChemSpider
ChemSpider ID
6146
language of work or name
English
title
tert-Butanol
(English)
retrieved
19 November 2016
PubChem CID
6386
2 references
stated in
PubChem
PubChem CID
6386
language of work or name
English
title
2-Methyl-2-propanol
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
Reaxys registry number
906698
1 reference
stated in
ChEBI
ChEBI ID
45895
language of work or name
English
title
tert-butanol
(English)
retrieved
19 October 2016
Gmelin number
1833
0 references
ChEBI ID
45895
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL16502
language of work or name
English
title
TERT-BUTANOL
(English)
retrieved
19 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
ChEMBL ID
CHEMBL16502
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL16502
language of work or name
English
title
TERT-BUTANOL
(English)
retrieved
19 November 2016
UniChem compound ID
32339
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP000275
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP001854
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP008892
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP007112
0 references
SPLASH
splash10-0a4i-9000000000-e1e141eb4262f5c1a3e6
0 references
splash10-0a4i-9000000000-de7e1d9fd31a3d61613f
0 references
splash10-0a4i-9000000000-6712497b9eeb1353c71a
0 references
splash10-0a4i-9000000000-7bacbebaf29aa98a92aa
0 references
NMRShiftDB structure ID
8112
1 reference
matched by identifier from
InChIKey
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
ICSC ID
0114
0 references
CAMEO Chemicals ID
8351
0 references
UN number
1120
1 reference
imported from Wikimedia project
English Wikipedia
RTECS number
EO1925000
1 reference
imported from Wikimedia project
English Wikipedia
ZVG number
12730
0 references
HSDB ID
50
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
50
publication date
28 October 2019
title
T-BUTYL ALCOHOL
(English)
retrieved
10 May 2021
DSSTox substance ID
DTXSID8020204
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40204
0 references
EC number
200-889-7
1 reference
stated in
Global Substance Registration System
UNII
MD83SFE959
language of work or name
English
title
tert-butyl alcohol
(English)
retrieved
19 November 2016
ECHA Substance Infocard ID
100.000.809
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.000.809
retrieved
27 December 2018
title
2-methylpropan-2-ol
(English)
quotation
CAS no.: 75-65-0
(English)
OSHA Occupational Chemical Database ID
593
0 references
FL number
02.052
1 reference
quotation
CAS no.: 75-65-0
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
02.052
CosIng number
38478
1 reference
stated in
CosIng database
CosIng number
38478
retrieved
28 December 2019
title
T-BUTYL ALCOHOL
(English)
quotation
CAS no.: 75-65-0
(English)
PesticideInfo chemical ID
PRI6150
0 references
Cannabis Database ID
000669
1 reference
stated in
Cannabis Database
Nikkaji ID
J1.459A
0 references
UM-BBD compound ID
c0516
0 references
MeSH descriptor ID
D020002
subject named as
tert-Butyl Alcohol
0 references
MeSH tree code
D02.033.415.110.855
0 references
D10.289.110.855
0 references
RxNorm ID
1363061
1 reference
stated in
Global Substance Registration System
UNII
MD83SFE959
language of work or name
English
title
tert-butyl alcohol
(English)
retrieved
19 November 2016
DrugBank ID
DB03900
1 reference
matched by identifier from
InChIKey
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0031456
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
UNII
MD83SFE959
2 references
stated in
Global Substance Registration System
UNII
MD83SFE959
language of work or name
English
title
tert-butyl alcohol
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
Probes And Drugs ID
PD006670
0 references
PDB ligand ID
TBU
0 references
Encyclopædia Britannica Online ID
science/tertiary-butyl-alcohol
subject named as
tertiary butyl alcohol
0 references
Freebase ID
/m/06dhnx
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
HCIS ID
3675
0 references
J-GLOBAL ID
200907092940257346
0 references
Microsoft Academic ID
2781325792
0 references
2909372655
0 references
OpenAlex ID
C2781325792
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
PDB structure ID
1Y6W
1 reference
stated in
Protein Data Bank
PDB structure ID
1Y6W
language of work or name
English
title
1Y6W
(English)
retrieved
19 October 2016
4YGQ
1 reference
stated in
Protein Data Bank
PDB structure ID
4YGQ
language of work or name
English
title
4YGQ
(English)
retrieved
19 October 2016
3UAL
1 reference
stated in
Protein Data Bank
PDB structure ID
3UAL
language of work or name
English
title
3UAL
(English)
retrieved
19 October 2016
1KMY
1 reference
stated in
Protein Data Bank
PDB structure ID
1KMY
language of work or name
English
title
1KMY
(English)
retrieved
19 October 2016
1KQ9
1 reference
stated in
Protein Data Bank
PDB structure ID
1KQ9
language of work or name
English
title
1KQ9
(English)
retrieved
19 October 2016
1KQ0
1 reference
stated in
Protein Data Bank
PDB structure ID
1KQ0
language of work or name
English
title
1KQ0
(English)
retrieved
19 October 2016
3L9I
1 reference
stated in
Protein Data Bank
PDB structure ID
3L9I
language of work or name
English
title
3L9I
(English)
retrieved
19 October 2016
3HEZ
1 reference
stated in
Protein Data Bank
PDB structure ID
3HEZ
language of work or name
English
title
3HEZ
(English)
retrieved
19 October 2016
4IVH
1 reference
stated in
Protein Data Bank
PDB structure ID
4IVH
language of work or name
English
title
4IVH
(English)
retrieved
19 October 2016
1BN5
1 reference
stated in
Protein Data Bank
PDB structure ID
1BN5
language of work or name
English
title
1BN5
(English)
retrieved
19 October 2016
1RUV
1 reference
stated in
Protein Data Bank
PDB structure ID
1RUV
language of work or name
English
title
1RUV
(English)
retrieved
19 October 2016
3N27
1 reference
stated in
Protein Data Bank
PDB structure ID
3N27
language of work or name
English
title
3N27
(English)
retrieved
19 October 2016
2GMJ
1 reference
stated in
Protein Data Bank
PDB structure ID
2GMJ
language of work or name
English
title
2GMJ
(English)
retrieved
19 October 2016
4DBP
1 reference
stated in
Protein Data Bank
PDB structure ID
4DBP
language of work or name
English
title
4DBP
(English)
retrieved
19 October 2016
1RFN
1 reference
stated in
Protein Data Bank
PDB structure ID
1RFN
language of work or name
English
title
1RFN
(English)
retrieved
19 October 2016
4OWY
1 reference
stated in
Protein Data Bank
PDB structure ID
4OWY
language of work or name
English
title
4OWY
(English)
retrieved
19 October 2016
4IOB
1 reference
stated in
Protein Data Bank
PDB structure ID
4IOB
language of work or name
English
title
4IOB
(English)
retrieved
19 October 2016
4MU8
1 reference
stated in
Protein Data Bank
PDB structure ID
4MU8
language of work or name
English
title
4MU8
(English)
retrieved
19 October 2016
1QZY
1 reference
stated in
Protein Data Bank
PDB structure ID
1QZY
language of work or name
English
title
1QZY
(English)
retrieved
19 October 2016
1WOL
1 reference
stated in
Protein Data Bank
PDB structure ID
1WOL
language of work or name
English
title
1WOL
(English)
retrieved
19 October 2016
1GAJ
1 reference
stated in
Protein Data Bank
PDB structure ID
1GAJ
language of work or name
English
title
1GAJ
(English)
retrieved
19 October 2016
1HAN
1 reference
stated in
Protein Data Bank
PDB structure ID
1HAN
language of work or name
English
title
1HAN
(English)
retrieved
19 October 2016
1KNF
1 reference
stated in
Protein Data Bank
PDB structure ID
1KNF
language of work or name
English
title
1KNF
(English)
retrieved
19 October 2016
1KND
1 reference
stated in
Protein Data Bank
PDB structure ID
1KND
language of work or name
English
title
1KND
(English)
retrieved
19 October 2016
4H8F
1 reference
stated in
Protein Data Bank
PDB structure ID
4H8F
language of work or name
English
title
4H8F
(English)
retrieved
19 October 2016
1PBY
1 reference
stated in
Protein Data Bank
PDB structure ID
1PBY
language of work or name
English
title
1PBY
(English)
retrieved
19 October 2016
4HXW
1 reference
stated in
Protein Data Bank
PDB structure ID
4HXW
language of work or name
English
title
4HXW
(English)
retrieved
19 October 2016
4KSG
1 reference
stated in
Protein Data Bank
PDB structure ID
4KSG
language of work or name
English
title
4KSG
(English)
retrieved
19 October 2016
2VEK
1 reference
stated in
Protein Data Bank
PDB structure ID
2VEK
language of work or name
English
title
2VEK
(English)
retrieved
19 October 2016
2VEM
1 reference
stated in
Protein Data Bank
PDB structure ID
2VEM
language of work or name
English
title
2VEM
(English)
retrieved
19 October 2016
4UU0
1 reference
stated in
Protein Data Bank
PDB structure ID
4UU0
language of work or name
English
title
4UU0
(English)
retrieved
19 October 2016
7RSA
1 reference
stated in
Protein Data Bank
PDB structure ID
7RSA
language of work or name
English
title
7RSA
(English)
retrieved
19 October 2016
2WDC
1 reference
stated in
Protein Data Bank
PDB structure ID
2WDC
language of work or name
English
title
2WDC
(English)
retrieved
19 October 2016
2WDE
1 reference
stated in
Protein Data Bank
PDB structure ID
2WDE
language of work or name
English
title
2WDE
(English)
retrieved
19 October 2016
2WDD
1 reference
stated in
Protein Data Bank
PDB structure ID
2WDD
language of work or name
English
title
2WDD
(English)
retrieved
19 October 2016
2WDF
1 reference
stated in
Protein Data Bank
PDB structure ID
2WDF
language of work or name
English
title
2WDF
(English)
retrieved
19 October 2016
1DKW
1 reference
stated in
Protein Data Bank
PDB structure ID
1DKW
language of work or name
English
title
1DKW
(English)
retrieved
19 October 2016
5D6E
1 reference
stated in
Protein Data Bank
PDB structure ID
5D6E
language of work or name
English
title
5D6E
(English)
retrieved
19 October 2016
5D6F
1 reference
stated in
Protein Data Bank
PDB structure ID
5D6F
language of work or name
English
title
5D6F
(English)
retrieved
19 October 2016
3AFN
1 reference
stated in
Protein Data Bank
PDB structure ID
3AFN
language of work or name
English
title
3AFN
(English)
retrieved
19 October 2016
3UBW
1 reference
stated in
Protein Data Bank
PDB structure ID
3UBW
language of work or name
English
title
3UBW
(English)
retrieved
19 October 2016
3EV3
1 reference
stated in
Protein Data Bank
PDB structure ID
3EV3
language of work or name
English
title
3EV3
(English)
retrieved
19 October 2016
4K4O
1 reference
stated in
Protein Data Bank
PDB structure ID
4K4O
language of work or name
English
title
4K4O
(English)
retrieved
19 October 2016
1JJU
1 reference
stated in
Protein Data Bank
PDB structure ID
1JJU
language of work or name
English
title
1JJU
(English)
retrieved
19 October 2016
UMLS CUI
C0076141
1 reference
stated in
WikiUMLS: Aligning UMLS to Wikipedia via Cross-lingual Neural Ranking
Sitelinks
Wikipedia
(27 entries)
edit
azbwiki
Tert-بوتانول
cswiki
Terc-butylalkohol
dewiki
Tert-Butanol
enwiki
Tert-Butyl alcohol
eowiki
T-Butanolo
eswiki
Terbutanol
euwiki
Tert-butanol
fawiki
Tert-بوتانول
fiwiki
Tert-butanoli
frwiki
2-Méthylpropan-2-ol
glwiki
Alcohol ter-butílico
huwiki
Terc-butanol
idwiki
Tert-Butil alkohol
itwiki
2-metil-2-propanolo
jawiki
Tert-ブチルアルコール
nlwiki
2-methylpropan-2-ol
plwiki
Tert-Butanol
ptwiki
Terc-Butanol
rowiki
Terț-butanol
ruwiki
2-Метилпропанол-2
shwiki
Terc-Butanol
srwiki
Terc-Butanol
svwiki
Tert-Butanol
tawiki
மூன்றாம் நிலை பியூட்டைல் ஆல்ககால்
trwiki
Tert-bütanol
ukwiki
Трет-Бутанол
zhwiki
叔丁醇
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(1 entry)
edit
commonswiki
Category:Tert-Butanol
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tert-butyl alcohol
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