Basic information
- CAS
4254-15-3- Standard SMILES
C[C@H](O)CO- InChIKey
DNIAPMSPPWPWGF-VKHMYHEASA-N- Molecular formula
- C3H8O2
- Average molar mass
- 76.09 g/mol
- Monoisotopic mass
- 76.0524295
Overview
(S)-propane-1,2-diol is a propane-1,2-diol. It has a role as an Escherichia coli metabolite and a human metabolite. It is an enantiomer of a (R)-propane-1,2-diol.
Names & identifiers
- Preferred name
- (S)-propane-1,2-diol
- IUPAC
- (2S)-propane-1,2-diol
- English name
- (S)-(+)-1,2-Propanediol
- Molecular formula
- C3H8O2
- Molecular weight
- 76.09
Names & synonyms
(S)-(+)-1,2-Propanediol(S)-Propane-1,2-diol(2S)-propane-1,2-diol(S)-1,2-Propanediol(S)-Propylene glycol(S)-(+)-Propylene GlycolPropylene glycol, (S)-(+)-1,2-Propanediol(S)-1,2-dihydroxypropane942194N4TDD-PROPYLENE GLYCOL(S)-1,2-propane-diol
Show more names
(2S)-1,2-PropanediolS-1,2-Propancdiol(S)-(+)-PROPANEDIOL1,2-Propanediol, (S)-PROPYELENE GLYCOL pure
(S)-2-HYDROXYPROPANOLCHEBI:29002DTXSID501009430(S)-2-HYDROXY-1-PROPANOLPROPYLENE GLYCOL D-FORM [MI]L-1,2-propanediolRefChem:4082151,2Propanediol, (2S)
Database identifiers
- CAS
4254-15-3- PubChem CID
- 439846
- DTXSID
DTXSID501009430- ChEBI
CHEBI:29002- UNII
- 942194N4TD
- EC Number
- 610-039-0
- Nikkaji
- J9.258D
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 20.9
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesDensity
Physical Description
Clear colorless liquid; Hygroscopic; [Sigma-Aldrich MSDS]
Solid
Physicochemical properties
- Melting point
- -59 °C · -59 °C
- Boiling point
- 186 · 186-188 °C765 mm Hg(lit.)
- alpha
- 16 · 16 º (c=neat)
- Density
- 1.036 g/mL · 1.036 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 225 °F · 225 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Miscible with acetone, chloroform, ethanol (95%), glycerin, and water; soluble at 1 in 6 parts of ether; not miscible with light mineral oil or fixed oils, but will dissolve some essential oils.
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information(S)-(+)-1,2-Propanediol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation and CNS depression; [Sigma-Aldrich MSDS] See Propylene glycol.
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- wgk
- 1
- hs_code
- 29053200
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36/37/39-26
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses(S)-(+)-1,2-Propanediol acts as an organic solvent and diluent used in pharmaceutical preparations. It is also used as a chiral synthetic intermediate and substrate for enzyme studies.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Related reactions
11 records
Compound notes
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