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1,4-butanediol
(Q161521)
Item
Discussion
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From Wikidata
chemical compound
1,4-BD
HOCH2CH2CH2CH2OH
HO(CH2)4OH
tetramethylene 1,4-diol
1,4-butylene glycol
1,4-tetramethylene glycol
1,4-dihydroxybutane
butane-1,4-diol
tetramethylene glycol
1,4-Butanediol
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
1,4-butanediol
chemical compound
1,4-BD
HOCH2CH2CH2CH2OH
HO(CH2)4OH
tetramethylene 1,4-diol
1,4-butylene glycol
1,4-tetramethylene glycol
1,4-dihydroxybutane
butane-1,4-diol
tetramethylene glycol
1,4-Butanediol
Statements
instance of
type of chemical entity
0 references
subclass of
glycol
1 reference
reference URL
http://goldbook.iupac.org/html/G/G02654.html
alkanediols
0 references
chemical structure
1,4-butanediol.svg
221 × 38; 5 KB
0 references
image of molecular model or crystal lattice model
1,4-Butanediol-3D-balls.png
1,500 × 650; 118 KB
depicts
ball-and-stick model
0 references
mass
90.068
dalton
1 reference
stated in
PubChem
PubChem CID
8064
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 October 2016
chemical formula
C₄H₁₀O₂
1 reference
stated in
PubChem
PubChem CID
8064
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
canonical SMILES
C(CCO)CO
1 reference
stated in
PubChem
PubChem CID
8064
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
density
1.0171
gram per cubic centimetre
0 references
melting point
20.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
20.1
degree Celsius
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
boiling point
235
degree Celsius
under pressure
90
kilopascal
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
dynamic viscosity
0.0849
pascal second
1 reference
imported from Wikimedia project
Russian Wikipedia
Wikimedia import URL
https://ru.wikipedia.org/?oldid=135510222
surface tension
0.0446
newton per metre
1 reference
imported from Wikimedia project
Russian Wikipedia
Wikimedia import URL
https://ru.wikipedia.org/?oldid=135510222
pKa
14.5
1 reference
imported from Wikimedia project
Russian Wikipedia
Wikimedia import URL
https://ru.wikipedia.org/?oldid=135510222
refractive index
1.446
1 reference
imported from Wikimedia project
Russian Wikipedia
Wikimedia import URL
https://ru.wikipedia.org/?oldid=135510222
flash point
121
degree Celsius
1 reference
imported from Wikimedia project
Russian Wikipedia
Wikimedia import URL
https://ru.wikipedia.org/?oldid=135510222
autoignition temperature
350
degree Celsius
1 reference
imported from Wikimedia project
Russian Wikipedia
Wikimedia import URL
https://ru.wikipedia.org/?oldid=135510222
safety classification and labelling
NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response
NFPA Health
1
NFPA Fire
1
NFPA Instability
0
NFPA Special
no value
1 reference
imported from Wikimedia project
English Wikipedia
Regulation (EC) No. 1272/2008
GHS hazard pictogram
GHS07: exclamation mark
GHS signal word
warning
GHS hazard statement
H302
H336
GHS precautionary statement
P301+P312
P330
1 reference
reference URL
https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=PL&language=EN-generic&productNumber=240559&brand=SIAL&PageToGoToURL=http%3A%2F%2Fwww.sigmaaldrich.com%2Fcatalog%2Fproduct%2Fsial%2F240559%3Flang%3Dpl
publisher
Sigma-Aldrich
title
1,4-Butanediol
(English)
point in time
30 October 2015
retrieved
11 June 2018
language of work or name
English
has part(s)
oxygen
0 references
carbon
0 references
Commons category
1,4-Butanediol
0 references
Identifiers
InChI
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
1 reference
stated in
PubChem
PubChem CID
8064
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
8064
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
110-63-4
1 reference
stated in
Global Substance Registration System
UNII
7XOO2LE6G3
language of work or name
English
title
1,4-butanediol
(English)
retrieved
19 November 2016
ChemSpider ID
13835209
1 reference
stated in
ChemSpider
ChemSpider ID
13835209
language of work or name
English
title
1,4-Butanediol
(English)
retrieved
19 November 2016
PubChem CID
8064
1 reference
stated in
PubChem
PubChem CID
8064
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
Reaxys registry number
1633445
1 reference
stated in
ChEBI
ChEBI ID
41189
language of work or name
English
title
butane-1,4-diol
(English)
retrieved
19 October 2016
ChEBI ID
41189
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL171623
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
ChEMBL ID
CHEMBL171623
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL171623
language of work or name
English
title
1,4-BUTANEDIOL
(English)
retrieved
19 November 2016
UniChem compound ID
15545
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP001835
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP009718
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP007021
0 references
SPLASH
splash10-0006-9000000000-e73d0286021e82006c29
0 references
splash10-0006-9000000000-798a32748fa78ba29b8e
0 references
NMRShiftDB structure ID
10005612
1 reference
matched by identifier from
InChIKey
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
ICSC ID
1104
0 references
CAMEO Chemicals ID
8344
0 references
RTECS number
EK0525000
1 reference
imported from Wikimedia project
English Wikipedia
ZVG number
15800
0 references
HSDB ID
1112
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
1112
publication date
28 October 2019
title
1,4-Butanediol
(English)
retrieved
10 May 2021
DSSTox substance ID
DTXSID2024666
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
DTXSID2042307
1 reference
matched by identifier from
InChIKey
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID804666
0 references
NSC number
406696
0 references
EC number
203-786-5
1 reference
stated in
Global Substance Registration System
UNII
7XOO2LE6G3
language of work or name
English
title
1,4-butanediol
(English)
retrieved
19 November 2016
ECHA Substance Infocard ID
100.003.443
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.003.443
retrieved
27 December 2018
title
Butane-1,4-diol
(English)
quotation
CAS no.: 110-63-4
(English)
CosIng number
54173
1 reference
stated in
CosIng database
CosIng number
54173
retrieved
28 December 2019
title
1,4-BUTANEDIOL
(English)
quotation
CAS no.: 110-63-4
(English)
Nikkaji ID
J5.097K
0 references
DrugBank ID
DB01955
1 reference
matched by identifier from
InChIKey
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0244201
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
UNII
7XOO2LE6G3
2 references
stated in
Global Substance Registration System
UNII
7XOO2LE6G3
language of work or name
English
title
1,4-butanediol
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
WERYXYBDKMZEQL-UHFFFAOYSA-N
Probes And Drugs ID
PD008271
0 references
PDB ligand ID
BU1
0 references
Encyclopedia of China (Third Edition) ID
120174
0 references
Freebase ID
/m/03c5vx
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
HCIS ID
4865
0 references
J-GLOBAL ID
200907088436954098
0 references
Microsoft Academic ID
2778108642
0 references
OpenAlex ID
C2778108642
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
PDB structure ID
1M8S
1 reference
stated in
Protein Data Bank
PDB structure ID
1M8S
language of work or name
English
title
1M8S
(English)
retrieved
19 October 2016
3KWO
1 reference
stated in
Protein Data Bank
PDB structure ID
3KWO
language of work or name
English
title
3KWO
(English)
retrieved
19 October 2016
3K65
1 reference
stated in
Protein Data Bank
PDB structure ID
3K65
language of work or name
English
title
3K65
(English)
retrieved
19 October 2016
1BK9
1 reference
stated in
Protein Data Bank
PDB structure ID
1BK9
language of work or name
English
title
1BK9
(English)
retrieved
19 October 2016
4U90
1 reference
stated in
Protein Data Bank
PDB structure ID
4U90
language of work or name
English
title
4U90
(English)
retrieved
19 October 2016
2X2U
1 reference
stated in
Protein Data Bank
PDB structure ID
2X2U
language of work or name
English
title
2X2U
(English)
retrieved
19 October 2016
4ENF
1 reference
stated in
Protein Data Bank
PDB structure ID
4ENF
language of work or name
English
title
4ENF
(English)
retrieved
19 October 2016
4S25
1 reference
stated in
Protein Data Bank
PDB structure ID
4S25
language of work or name
English
title
4S25
(English)
retrieved
19 October 2016
4S27
1 reference
stated in
Protein Data Bank
PDB structure ID
4S27
language of work or name
English
title
4S27
(English)
retrieved
19 October 2016
4OP4
1 reference
stated in
Protein Data Bank
PDB structure ID
4OP4
language of work or name
English
title
4OP4
(English)
retrieved
19 October 2016
4TLJ
1 reference
stated in
Protein Data Bank
PDB structure ID
4TLJ
language of work or name
English
title
4TLJ
(English)
retrieved
19 October 2016
4S29
1 reference
stated in
Protein Data Bank
PDB structure ID
4S29
language of work or name
English
title
4S29
(English)
retrieved
19 October 2016
4S28
1 reference
stated in
Protein Data Bank
PDB structure ID
4S28
language of work or name
English
title
4S28
(English)
retrieved
19 October 2016
3FNK
1 reference
stated in
Protein Data Bank
PDB structure ID
3FNK
language of work or name
English
title
3FNK
(English)
retrieved
19 October 2016
5KC9
1 reference
stated in
Protein Data Bank
PDB structure ID
5KC9
language of work or name
English
title
5KC9
(English)
retrieved
19 October 2016
2HW8
1 reference
stated in
Protein Data Bank
PDB structure ID
2HW8
language of work or name
English
title
2HW8
(English)
retrieved
19 October 2016
4YWJ
1 reference
stated in
Protein Data Bank
PDB structure ID
4YWJ
language of work or name
English
title
4YWJ
(English)
retrieved
19 October 2016
2XAA
1 reference
stated in
Protein Data Bank
PDB structure ID
2XAA
language of work or name
English
title
2XAA
(English)
retrieved
19 October 2016
2B9Y
1 reference
stated in
Protein Data Bank
PDB structure ID
2B9Y
language of work or name
English
title
2B9Y
(English)
retrieved
19 October 2016
5CFU
1 reference
stated in
Protein Data Bank
PDB structure ID
5CFU
language of work or name
English
title
5CFU
(English)
retrieved
19 October 2016
4RAK
1 reference
stated in
Protein Data Bank
PDB structure ID
4RAK
language of work or name
English
title
4RAK
(English)
retrieved
19 October 2016
4EGW
1 reference
stated in
Protein Data Bank
PDB structure ID
4EGW
language of work or name
English
title
4EGW
(English)
retrieved
19 October 2016
2W62
1 reference
stated in
Protein Data Bank
PDB structure ID
2W62
language of work or name
English
title
2W62
(English)
retrieved
19 October 2016
4E5O
1 reference
stated in
Protein Data Bank
PDB structure ID
4E5O
language of work or name
English
title
4E5O
(English)
retrieved
19 October 2016
4FHL
1 reference
stated in
Protein Data Bank
PDB structure ID
4FHL
language of work or name
English
title
4FHL
(English)
retrieved
19 October 2016
1M8R
1 reference
stated in
Protein Data Bank
PDB structure ID
1M8R
language of work or name
English
title
1M8R
(English)
retrieved
19 October 2016
3U6F
1 reference
stated in
Protein Data Bank
PDB structure ID
3U6F
language of work or name
English
title
3U6F
(English)
retrieved
19 October 2016
3LAT
1 reference
stated in
Protein Data Bank
PDB structure ID
3LAT
language of work or name
English
title
3LAT
(English)
retrieved
19 October 2016
3U3Y
1 reference
stated in
Protein Data Bank
PDB structure ID
3U3Y
language of work or name
English
title
3U3Y
(English)
retrieved
19 October 2016
3Q9H
1 reference
stated in
Protein Data Bank
PDB structure ID
3Q9H
language of work or name
English
title
3Q9H
(English)
retrieved
19 October 2016
2BAB
1 reference
stated in
Protein Data Bank
PDB structure ID
2BAB
language of work or name
English
title
2BAB
(English)
retrieved
19 October 2016
4O83
1 reference
stated in
Protein Data Bank
PDB structure ID
4O83
language of work or name
English
title
4O83
(English)
retrieved
19 October 2016
4O81
1 reference
stated in
Protein Data Bank
PDB structure ID
4O81
language of work or name
English
title
4O81
(English)
retrieved
19 October 2016
4HX0
1 reference
stated in
Protein Data Bank
PDB structure ID
4HX0
language of work or name
English
title
4HX0
(English)
retrieved
19 October 2016
2RH1
1 reference
stated in
Protein Data Bank
PDB structure ID
2RH1
language of work or name
English
title
2RH1
(English)
retrieved
19 October 2016
4O84
1 reference
stated in
Protein Data Bank
PDB structure ID
4O84
language of work or name
English
title
4O84
(English)
retrieved
19 October 2016
4ONW
1 reference
stated in
Protein Data Bank
PDB structure ID
4ONW
language of work or name
English
title
4ONW
(English)
retrieved
19 October 2016
1TZP
1 reference
stated in
Protein Data Bank
PDB structure ID
1TZP
language of work or name
English
title
1TZP
(English)
retrieved
19 October 2016
1X9D
1 reference
stated in
Protein Data Bank
PDB structure ID
1X9D
language of work or name
English
title
1X9D
(English)
retrieved
19 October 2016
3S3F
1 reference
stated in
Protein Data Bank
PDB structure ID
3S3F
language of work or name
English
title
3S3F
(English)
retrieved
19 October 2016
3S3E
1 reference
stated in
Protein Data Bank
PDB structure ID
3S3E
language of work or name
English
title
3S3E
(English)
retrieved
19 October 2016
3S3H
1 reference
stated in
Protein Data Bank
PDB structure ID
3S3H
language of work or name
English
title
3S3H
(English)
retrieved
19 October 2016
3CED
1 reference
stated in
Protein Data Bank
PDB structure ID
3CED
language of work or name
English
title
3CED
(English)
retrieved
19 October 2016
1VIO
1 reference
stated in
Protein Data Bank
PDB structure ID
1VIO
language of work or name
English
title
1VIO
(English)
retrieved
19 October 2016
4KP9
1 reference
stated in
Protein Data Bank
PDB structure ID
4KP9
language of work or name
English
title
4KP9
(English)
retrieved
19 October 2016
5D5A
1 reference
stated in
Protein Data Bank
PDB structure ID
5D5A
language of work or name
English
title
5D5A
(English)
retrieved
19 October 2016
5D6L
1 reference
stated in
Protein Data Bank
PDB structure ID
5D6L
language of work or name
English
title
5D6L
(English)
retrieved
19 October 2016
5D5B
1 reference
stated in
Protein Data Bank
PDB structure ID
5D5B
language of work or name
English
title
5D5B
(English)
retrieved
19 October 2016
3U54
1 reference
stated in
Protein Data Bank
PDB structure ID
3U54
language of work or name
English
title
3U54
(English)
retrieved
19 October 2016
3EYC
1 reference
stated in
Protein Data Bank
PDB structure ID
3EYC
language of work or name
English
title
3EYC
(English)
retrieved
19 October 2016
3NZ2
1 reference
stated in
Protein Data Bank
PDB structure ID
3NZ2
language of work or name
English
title
3NZ2
(English)
retrieved
19 October 2016
3OT2
1 reference
stated in
Protein Data Bank
PDB structure ID
3OT2
language of work or name
English
title
3OT2
(English)
retrieved
19 October 2016
ScienceDirect topic ID
biochemistry-genetics-and-molecular-biology/1-4-butanediol
0 references
nursing-and-health-professions/1-4-butanediol
0 references
UK Parliament thesaurus ID
492109
subject named as
1,4-Butanediol
0 references
Sitelinks
Wikipedia
(24 entries)
edit
arwiki
1،4-بوتانديول
azbwiki
۴٬۱-بوتاندیول
azwiki
1,4-Butandiol
cawiki
Butan-1,4-diol
dewiki
1,4-Butandiol
enwiki
1,4-Butanediol
eowiki
1,4-Butanoduolo
eswiki
1,4-butanodiol
euwiki
1,4-butanodiol
fawiki
۴٬۱-بوتاندیول
fiwiki
1,4-butaanidioli
frwiki
Butane-1,4-diol
itwiki
1,4-butandiolo
jawiki
1,4-ブタンジオール
nlwiki
1,4-butaandiol
plwiki
1,4-Butanodiol
ptwiki
1,4-butanodiol
rowiki
1,4-butandiol
ruwiki
1,4-Бутандиол
shwiki
1,4-Butandiol
srwiki
1,4-Butandiol
svwiki
1,4-Butandiol
viwiki
1,4-Butanediol
zhwiki
1,4-丁二醇
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:1,4-Butanediol
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