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1,3-propanediol
(Q161514)
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From Wikidata
chemical compound
propane-1,3-diol
1,3-dihydroxypropane
trimethylene glycol
beta-propylene glycol
2-(hydroxymethyl)ethanol
omega-propanediol
HO(CH2)3OH
HOCH2CH2CH2OH
CH2(CH2OH)2
(HOCH2)2CH2
1,3-propylenediol
1,3-propylene glycol
2-deoxyglycerol
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
1,3-propanediol
chemical compound
propane-1,3-diol
1,3-dihydroxypropane
trimethylene glycol
beta-propylene glycol
2-(hydroxymethyl)ethanol
omega-propanediol
HO(CH2)3OH
HOCH2CH2CH2OH
CH2(CH2OH)2
(HOCH2)2CH2
1,3-propylenediol
1,3-propylene glycol
2-deoxyglycerol
Statements
instance of
type of chemical entity
0 references
subclass of
propanediol
0 references
part of
anaerobic glycerol catabolic process to propane-1,3-diol
subject has role
product
1 reference
stated in
Gene Ontology release 2019-11-16
1,3-propanediol dehydrogenase activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
chemical structure
1,3-Propanediol-2D-skeletal.svg
272 × 66; 4 KB
0 references
image of molecular model or crystal lattice model
1,3-Propanediol-3D-balls.png
1,100 × 550; 117 KB
depicts
ball-and-stick model
0 references
mass
76.052
dalton
1 reference
stated in
PubChem
PubChem CID
10442
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
color
colorless
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
chemical formula
C₃H₈O₂
1 reference
stated in
PubChem
PubChem CID
10442
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
canonical SMILES
C(CO)CO
1 reference
stated in
PubChem
PubChem CID
10442
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
density
1.0538
gram per cubic centimetre
phase of matter
liquid
temperature
20
degree Celsius
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
melting point
−26.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
−27.6±0.1
degree Celsius
uncertainty corresponds to
expanded uncertainty
reason for preferred rank
most precise value
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
boiling point
214.7±0.3
degree Celsius
under pressure
1,013.25
kilopascal
uncertainty corresponds to
expanded uncertainty
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
dynamic viscosity
52.7
millipascal second
temperature
20
degree Celsius
phase of matter
liquid
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
kinematic viscosity
44.923
square millimetre per second
temperature
24
degree Celsius
phase of matter
liquid
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
surface tension
47.0
millinewton per metre
temperature
30
degree Celsius
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
6-195
vapor pressure
0.059
hectopascal
temperature
20
degree Celsius
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
9
hectopascal
temperature
100
degree Celsius
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
solubility
unknown value
solvent
water
temperature
unknown value
descriptive solubility
miscible
2 references
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
unknown value
solvent
ethanol
temperature
unknown value
descriptive solubility
miscible
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
unknown value
solvent
diethyl ether
temperature
unknown value
descriptive solubility
very soluble
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
unknown value
solvent
benzene
temperature
unknown value
descriptive solubility
slightly soluble
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
partition coefficient water/octanol
−1.04
temperature
unknown value
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
refractive index
1.4398
wavelength
589
nanometre
temperature
20
degree Celsius
1 reference
stated in
CRC Handbook of Chemistry and Physics (97th edition)
page(s)
3-468
flash point
128
degree Celsius
determination method or standard
Pensky–Martens closed-cup test
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
autoignition temperature
400
degree Celsius
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
lower flammable limit
2.5
volume percent
1 reference
stated in
GESTIS database
ZVG number
27410
retrieved
22 September 2023
title
1,3-Propanediol
(English)
language of work or name
English
safety classification and labelling
NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response
NFPA Health
2
NFPA Fire
2
NFPA Instability
0
NFPA Special
no value
1 reference
imported from Wikimedia project
English Wikipedia
found in taxon
tomato
1 reference
stated in
Metabolite content of harvested Micro-Tom tomato (Solanum lycopersicum L.) fruit is altered by chilling and protective heat-shock treatments as shown by GC–MS metabolic profiling
Commons category
1,3-Propanediol
0 references
Identifiers
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
1 reference
stated in
PubChem
PubChem CID
10442
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
10442
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
stated in
Global Substance Registration System
UNII
5965N8W85T
retrieved
14 February 2018
CAS Registry Number
504-63-2
3 references
stated in
ChEBI
ChEBI ID
16109
language of work or name
English
title
propane-1,3-diol
(English)
retrieved
19 October 2016
stated in
Global Substance Registration System
UNII
5965N8W85T
retrieved
14 February 2018
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=504-63-2
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
ChemSpider ID
13839553
1 reference
stated in
ChemSpider
ChemSpider ID
13839553
language of work or name
English
title
1,3-Propanediol
(English)
retrieved
19 October 2016
PubChem CID
10442
2 references
stated in
PubChem
PubChem CID
10442
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
Reaxys registry number
969155
1 reference
stated in
ChEBI
ChEBI ID
16109
language of work or name
English
title
propane-1,3-diol
(English)
retrieved
19 October 2016
ChEBI ID
16109
mapping relation type
exact match
4 references
stated in
ChEBI
ChEBI ID
16109
language of work or name
English
title
propane-1,3-diol
(English)
retrieved
19 October 2016
stated in
ChEBI release 2019-10-02
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
ChEMBL ID
CHEMBL379652
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL379652
language of work or name
English
title
1,3-PROPANEDIOL
(English)
retrieved
19 October 2016
UniChem compound ID
51125
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP001837
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP005855
0 references
SPLASH
splash10-057i-9000000000-32874f2605e2fa74ff9d
0 references
NMRShiftDB structure ID
10016663
1 reference
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
RTECS number
TY2010000
1 reference
imported from Wikimedia project
English Wikipedia
ZVG number
27410
0 references
HSDB ID
8263
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
8263
publication date
28 October 2019
title
1,3-Propanediol
(English)
retrieved
10 May 2021
DSSTox substance ID
DTXSID8041246
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
DTXSID30897465
1 reference
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID6021246
0 references
NSC number
65426
0 references
EC number
207-997-3
1 reference
stated in
Global Substance Registration System
UNII
5965N8W85T
retrieved
14 February 2018
ECHA Substance Infocard ID
100.007.271
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.007.271
retrieved
27 December 2018
title
Propane-1,3-diol
(English)
quotation
CAS no.: 504-63-2
(English)
CosIng number
58392
1 reference
stated in
CosIng database
CosIng number
58392
retrieved
28 December 2019
title
PROPANEDIOL
(English)
quotation
CAS no.: 504-63-2
(English)
PesticideInfo chemical ID
PRI142
0 references
Nikkaji ID
J2.606I
0 references
RxNorm ID
1363030
1 reference
stated in
Global Substance Registration System
UNII
5965N8W85T
retrieved
14 February 2018
DrugBank ID
DB02774
1 reference
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
KNApSAcK ID
C00061982
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
UNII
5965N8W85T
2 references
stated in
Global Substance Registration System
UNII
5965N8W85T
retrieved
14 February 2018
matched by identifier from
InChIKey
InChIKey
YPFDHNVEDLHUCE-UHFFFAOYSA-N
Probes And Drugs ID
PD007650
0 references
KEGG ID
C02457
1 reference
imported from Wikimedia project
English Wikipedia
PDB ligand ID
PDO
0 references
Encyclopedia of China (Third Edition) ID
206794
0 references
Freebase ID
/m/0frpbg
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
J-GLOBAL ID
200907066322340215
0 references
Microsoft Academic ID
2779394659
0 references
OpenAlex ID
C2779394659
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
PDB structure ID
4XZ9
1 reference
stated in
Protein Data Bank
PDB structure ID
4XZ9
language of work or name
English
title
4XZ9
(English)
retrieved
19 October 2016
2O2I
1 reference
stated in
Protein Data Bank
PDB structure ID
2O2I
language of work or name
English
title
2O2I
(English)
retrieved
19 October 2016
4K1W
1 reference
stated in
Protein Data Bank
PDB structure ID
4K1W
language of work or name
English
title
4K1W
(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
4Y88
1 reference
stated in
Protein Data Bank
PDB structure ID
4Y88
language of work or name
English
title
4Y88
(English)
retrieved
19 October 2016
1IZ8
1 reference
stated in
Protein Data Bank
PDB structure ID
1IZ8
language of work or name
English
title
1IZ8
(English)
retrieved
19 October 2016
5EJ0
1 reference
stated in
Protein Data Bank
PDB structure ID
5EJ0
language of work or name
English
title
5EJ0
(English)
retrieved
19 October 2016
1ZV9
1 reference
stated in
Protein Data Bank
PDB structure ID
1ZV9
language of work or name
English
title
1ZV9
(English)
retrieved
19 October 2016
2YMT
1 reference
stated in
Protein Data Bank
PDB structure ID
2YMT
language of work or name
English
title
2YMT
(English)
retrieved
19 October 2016
4QVB
1 reference
stated in
Protein Data Bank
PDB structure ID
4QVB
language of work or name
English
title
4QVB
(English)
retrieved
19 October 2016
1MR3
1 reference
stated in
Protein Data Bank
PDB structure ID
1MR3
language of work or name
English
title
1MR3
(English)
retrieved
19 October 2016
4L68
1 reference
stated in
Protein Data Bank
PDB structure ID
4L68
language of work or name
English
title
4L68
(English)
retrieved
19 October 2016
4BCX
1 reference
stated in
Protein Data Bank
PDB structure ID
4BCX
language of work or name
English
title
4BCX
(English)
retrieved
19 October 2016
4HON
1 reference
stated in
Protein Data Bank
PDB structure ID
4HON
language of work or name
English
title
4HON
(English)
retrieved
19 October 2016
3L8Q
1 reference
stated in
Protein Data Bank
PDB structure ID
3L8Q
language of work or name
English
title
3L8Q
(English)
retrieved
19 October 2016
4L1F
1 reference
stated in
Protein Data Bank
PDB structure ID
4L1F
language of work or name
English
title
4L1F
(English)
retrieved
19 October 2016
1NAI
1 reference
stated in
Protein Data Bank
PDB structure ID
1NAI
language of work or name
English
title
1NAI
(English)
retrieved
19 October 2016
1D07
1 reference
stated in
Protein Data Bank
PDB structure ID
1D07
language of work or name
English
title
1D07
(English)
retrieved
19 October 2016
ScienceDirect topic ID
chemistry/propane-1-3-diol
0 references
medicine-and-dentistry/1-3-propanediol
0 references
nursing-and-health-professions/1-3-propanediol
0 references
pharmacology-toxicology-and-pharmaceutical-science/1-3-propanediol
0 references
Sitelinks
Wikipedia
(22 entries)
edit
azbwiki
۳٬۱-پروپاندیول
azwiki
1,3-Propandiol
cswiki
Propan-1,3-diol
dewiki
1,3-Propandiol
enwiki
1,3-Propanediol
eswiki
1,3-propanodiol
fawiki
۳٬۱-پروپاندیول
fiwiki
1,3-propaanidioli
frwiki
Propane-1,3-diol
glwiki
1,3-Propanodiol
itwiki
1,3-propandiolo
jawiki
1,3-プロパンジオール
kowiki
1,3-프로페인다이올
lvwiki
1,3-Propāndiols
nlwiki
Propaan-1,3-diol
plwiki
Propano-1,3-diol
ptwiki
Propano-1,3-diol
rowiki
1,3-propandiol
shwiki
1,3-Propandiol
srwiki
1,3-Propandiol
svwiki
1,3-Propandiol
zhwiki
1,3-丙二醇
Wikibooks
(0 entries)
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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:1,3-Propanediol
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