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isobutyl alcohol
(Q151797)
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From Wikidata
chemical compound
2-methyl-1-propanol
Isobutyl alcohol
2-methylpropan-1-ol
2-methylpropyl alcohol
IBA
Isopropylcarbinol
1-hydroxymethylpropane
isobutanol
iso-C4H9OH
i-Butyl alcohol
i-Butanol
iso-butyl alcohol
2-methylpropanol
Isopropyl carbitol
Alcool isobutylique
2-MethylpropanoI
2-Methylpropanol-1
Methyl-2 propanol-1
2-Methyl propanol
2-Methyl-1-propanyl alcohol
Isomerism:it shows meta isomerism with ethers
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
isobutyl alcohol
chemical compound
2-methyl-1-propanol
Isobutyl alcohol
2-methylpropan-1-ol
2-methylpropyl alcohol
IBA
Isopropylcarbinol
1-hydroxymethylpropane
isobutanol
iso-C4H9OH
i-Butyl alcohol
i-Butanol
iso-butyl alcohol
2-methylpropanol
Isopropyl carbitol
Alcool isobutylique
2-MethylpropanoI
2-Methylpropanol-1
Methyl-2 propanol-1
2-Methyl propanol
2-Methyl-1-propanyl alcohol
Isomerism:it shows meta isomerism with ethers
Statements
instance of
type of chemical entity
0 references
subclass of
fatty alcohol
0 references
butanol
0 references
part of
isobutanol metabolic process
subject has role
participant
1 reference
stated in
Gene Ontology release 2019-11-16
isobutanol biosynthetic process
subject has role
product
1 reference
stated in
Gene Ontology release 2019-11-16
response to isobutanol
subject has role
reactant
1 reference
stated in
Gene Ontology release 2019-11-16
glycine catabolic process to isobutanol
subject has role
product
1 reference
stated in
Gene Ontology release 2019-11-16
valine catabolic process to isobutanol
subject has role
product
1 reference
stated in
Gene Ontology release 2019-11-16
chemical structure
Isobutanol.svg
763 × 382; 586 bytes
1 reference
imported from Wikimedia project
German Wikipedia
2-methylpropan-1-ol 200.svg
129 × 67; 7 KB
0 references
mass
74.073
dalton
1 reference
stated in
PubChem
PubChem CID
6560
language of work or name
English
title
2-Methyl-1-propanol
(English)
retrieved
6 October 2016
associated hazard
isobutanol exposure
0 references
has effect
isobutanol exposure
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
chemical formula
C₄H₁₀O
1 reference
stated in
PubChem
PubChem CID
6560
language of work or name
English
title
2-Methyl-1-propanol
(English)
retrieved
19 November 2016
canonical SMILES
CC(C)CO
1 reference
stated in
PubChem
PubChem CID
6560
language of work or name
English
title
2-Methyl-1-propanol
(English)
retrieved
19 November 2016
ionization energy
10.12±0.01
electronvolt
series ordinal
1
2 references
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
electric dipole moment
1.64
debye
2 references
imported from Wikimedia project
Russian Wikipedia
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
standard enthalpy of formation
−334.7
kilojoule per mole
1 reference
imported from Wikimedia project
Russian Wikipedia
molar fusion enthalpy
6.32
kilojoule per mole
1 reference
imported from Wikimedia project
Russian Wikipedia
molar enthalpy of vaporization
41.8
kilojoule per mole
1 reference
imported from Wikimedia project
Russian Wikipedia
density
0.8±0.01
gram per cubic centimetre
temperature
20±1
degree Celsius
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
melting point
−162±1
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
−108.0
degree Celsius
2 references
stated in
Jean-Claude Bradley Open Melting Point Dataset
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
boiling point
227±1
degree Fahrenheit
under pressure
760±1
torr
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
107.89
degree Celsius
under pressure
101.325
kilopascal
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
kinematic viscosity
4
square millimetre per second
1 reference
imported from Wikimedia project
Russian Wikipedia
surface tension
0.02294
newton per metre
1 reference
imported from Wikimedia project
Russian Wikipedia
vapor pressure
9±1
millimetre of mercury
temperature
68±1
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
solubility
10±1
gram per 100 gram of solvent
temperature
68±1
degree Fahrenheit
solvent
water
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
refractive index
1.3958
1 reference
imported from Wikimedia project
Russian Wikipedia
flash point
82±1
degree Fahrenheit
determination method or standard
Pensky–Martens closed-cup test
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
autoignition temperature
415
degree Celsius
1 reference
imported from Wikimedia project
Russian Wikipedia
lower flammable limit
1.7±0.1
volume percent
temperature
123±1
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
upper flammable limit
10.6±0.1
volume percent
temperature
202±1
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.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
Regulation (EC) No. 1272/2008
GHS hazard pictogram
GHS02: flame
GHS05: corrosion
GHS07: exclamation mark
GHS signal word
danger
GHS hazard statement
H226
H335
H315
H318
H336
GHS precautionary statement
P210
P280
P302+P352
P305+P351+P338
1 reference
stated in
GESTIS database
ZVG number
15690
retrieved
10 June 2018
title
2-Methyl-1-propanol
(English)
language of work or name
English
point in time
2015
NIOSH Pocket Guide ID
0352
0 references
time-weighted average exposure limit
150±1
milligram per cubic metre
applies to jurisdiction
no value
duration
10±1
hour
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
300±1
milligram per cubic metre
applies to jurisdiction
United States
duration
8±1
hour
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
immediately dangerous to life or health
4,848±1
milligram per cubic metre
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
found in taxon
Zingiber mioga
1 reference
stated in
Volatile Flavor Compounds of Myoga (Zingiber Mioga).
maize
1 reference
stated in
Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants
Opuntia ficus-indica
1 reference
stated in
Volatile constituents of prickly pear (Opuntia ficus indica Mill., de Castilla variety)
Vitis rotundifolia
1 reference
stated in
Volatile constituents of the muscadine grape (Vitis rotundifolia)
star fruit
1 reference
stated in
Volatile constituents of carambola (Averrhoa carambola L.)
Candida tropicalis
1 reference
stated in
Interconversion of verbenols and verbenone by identified yeasts isolated from the spruce bark beetleIps typographus.
Cichorium endivia
1 reference
stated in
Neutral volatiles from blended endive (Cichorium endivia, L.)
Ferula assa-foetida
1 reference
stated in
Volatile Compounds in Leek and Asafoetida
Lentinellus cochleatus
1 reference
stated in
Volatiles from Liquid Cultures of Lentinellus cochleatus (Basidiomycotina)
Mangifera indica
1 reference
stated in
Volatile components of two cultivars of mango from Florida
Mycoacia uda
1 reference
stated in
Characterization of the major aroma constituent of the fungus Trichoderma viride
Populus koreana
1 reference
stated in
Analysis of Phenolics of Bud Exudates of Populus koreana, Populus maximowiczii and Populus suaveolens by GC-MS
Populus suaveolens
1 reference
stated in
Analysis of Phenolics of Bud Exudates of Populus koreana, Populus maximowiczii and Populus suaveolens by GC-MS
Populus maximowiczii
1 reference
stated in
Analysis of Phenolics of Bud Exudates of Populus koreana, Populus maximowiczii and Populus suaveolens by GC-MS
Spondias mombin
1 reference
stated in
Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)
Tuber melanosporum
1 reference
stated in
Principal constituents of black truffle (Tuber melanosporum) aroma
Zanthoxylum simulans
1 reference
stated in
Characteristics of the Steam-Distilled Oil and Carbon Dioxide Extract ofZanthoxylum simulansFruits†
Angelica gigas
1 reference
stated in
Volatile organic compounds of Angelica gigas Nakai, Korean medicinal herb
Zanthoxylum schinifolium
1 reference
stated in
Aroma constituents and alkylamides of red and green huajiao (Zanthoxylum bungeanum and Zanthoxylum schinifolium).
Lucensosergia lucens
1 reference
stated in
Volatile Components ofSergia lucensand Its Fermented Product
Saccharomyces cerevisiae
1 reference
stated in
Increased isobutanol production in Saccharomyces cerevisiae by eliminating competing pathways and resolving cofactor imbalance
has characteristic
Class IC flammable liquid
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0352.html
Commons category
Isobutanol
1 reference
imported from Wikimedia project
English Wikipedia
Identifiers
GND ID
4337576-5
0 references
InChI
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
1 reference
stated in
PubChem
PubChem CID
6560
language of work or name
English
title
2-Methyl-1-propanol
(English)
retrieved
19 November 2016
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
6560
language of work or name
English
title
2-Methyl-1-propanol
(English)
retrieved
19 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
78-83-1
2 references
stated in
Global Substance Registration System
UNII
56F9Z98TEM
language of work or name
English
title
isobutyl alcohol
(English)
retrieved
19 November 2016
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=78-83-1
ChemSpider ID
6312
1 reference
stated in
ChemSpider
ChemSpider ID
6312
language of work or name
English
title
isobutanol
(English)
retrieved
6 October 2016
PubChem CID
6560
1 reference
stated in
PubChem
PubChem CID
6560
language of work or name
English
title
2-Methyl-1-propanol
(English)
retrieved
19 November 2016
Reaxys registry number
1730878
1 reference
stated in
ChEBI
ChEBI ID
46645
language of work or name
English
title
isobutanol
(English)
retrieved
6 October 2016
Gmelin number
49282
0 references
ChEBI ID
46645
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL269630
language of work or name
English
title
ISOBUTANOL
(English)
retrieved
19 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
ChEMBL ID
CHEMBL269630
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL269630
language of work or name
English
title
ISOBUTANOL
(English)
retrieved
19 November 2016
UniChem compound ID
423581
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP000273
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP001278
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP007110
0 references
SPLASH
splash10-0006-9000000000-8f50f8925987fafa9f6e
0 references
splash10-0006-9000000000-a022508915e78517db51
0 references
splash10-0006-9000000000-df76ec6cf6a8bfca3cf4
0 references
NMRShiftDB structure ID
10016628
1 reference
matched by identifier from
InChIKey
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
ICSC ID
0113
0 references
CAMEO Chemicals ID
3661
0 references
UN number
1212
0 references
RTECS number
NP9625000
1 reference
imported from Wikimedia project
Russian Wikipedia
ZVG number
15690
1 reference
imported from Wikimedia project
German Wikipedia
HSDB ID
49
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
49
publication date
28 October 2019
title
ISOBUTYL ALCOHOL
(English)
retrieved
10 May 2021
DSSTox substance ID
DTXSID0021759
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601759
0 references
NSC number
5708
0 references
EC number
201-148-0
1 reference
stated in
Global Substance Registration System
UNII
56F9Z98TEM
language of work or name
English
title
isobutyl alcohol
(English)
retrieved
19 November 2016
ECHA Substance Infocard ID
100.001.044
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.001.044
retrieved
27 December 2018
title
2-methylpropan-1-ol
(English)
quotation
CAS no.: 78-83-1
(English)
OSHA Occupational Chemical Database ID
676
0 references
FL number
02.001
1 reference
quotation
CAS no.: 78-83-1
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
02.001
CosIng number
40796
1 reference
stated in
CosIng database
CosIng number
40796
retrieved
28 December 2019
title
2-METHYLPROPANOL
(English)
quotation
CAS no.: 78-83-1
(English)
PesticideInfo chemical ID
PRI3697
0 references
Nikkaji ID
J2.831B
0 references
RxNorm ID
1363048
1 reference
stated in
Global Substance Registration System
UNII
56F9Z98TEM
language of work or name
English
title
isobutyl alcohol
(English)
retrieved
19 November 2016
Human Metabolome Database ID
HMDB0006006
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
KNApSAcK ID
C00050470
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
UNII
56F9Z98TEM
2 references
stated in
Global Substance Registration System
UNII
56F9Z98TEM
language of work or name
English
title
isobutyl alcohol
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Probes And Drugs ID
PD124043
0 references
KEGG ID
C14710
1 reference
stated in
ChEBI
ChEBI ID
46645
language of work or name
English
title
isobutanol
(English)
retrieved
6 October 2016
LIPID MAPS ID
LMFA05000100
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
Encyclopædia Britannica Online ID
science/isobutyl-alcohol
subject named as
isobutyl alcohol
0 references
Encyclopedia of China (Third Edition) ID
119851
0 references
Freebase ID
/m/086qbp
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
HCIS ID
3042
0 references
J-GLOBAL ID
200907003885424090
0 references
JECFA database ID
5055
0 references
JECFA number
251
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
Microsoft Academic ID
2777271787
0 references
OpenAlex ID
C2777271787
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
Sitelinks
Wikipedia
(32 entries)
edit
arwiki
إيزوبوتانول
azbwiki
ایزوبوتانول
bswiki
Izobutanol
cswiki
Isobutanol
dewiki
2-Methyl-1-propanol
enwiki
Isobutanol
eowiki
Izobutanolo
eswiki
Isobutanol
euwiki
Isobutanol
fawiki
ایزوبوتانول
fiwiki
Isobutanoli
frwiki
2-Méthylpropan-1-ol
glwiki
Isobutanol
hewiki
איזובוטנול
huwiki
Izobutanol
idwiki
Isobutanol
itwiki
2-metil-1-propanolo
jawiki
イソブチルアルコール
kowiki
아이소뷰탄올
mkwiki
Изобутанол
mswiki
Isobutanol
nlwiki
2-methylpropan-1-ol
nowiki
Isobutanol
ptwiki
Isobutanol
rowiki
Izobutanol
ruwiki
2-Метилпропанол-1
shwiki
Izobutanol
srwiki
Izobutanol
svwiki
Isobutanol
trwiki
İzobütanol
ukwiki
Ізобутанол
zhwiki
异丁醇
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:Isobutanol
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