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Product No: AA6348

(S)-(+)-1,2-Propanediol, 97%

Name: (S)-(+)-1,2-Propanediol
Brand: Chempure

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CAS Number

4254-15-3

Molecular Weight

76.09

Formula

CH3CH(OH)CH2OH

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IUPAC name	(2S)-propane-1,2-diol
canonical smiles	CC(CO)O
inchi	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
inchi key	DNIAPMSPPWPWGF-VKHMYHEASA-N
molecular formula	C3H8O2
synonyms	(S)-(+)-1,2-Propanediol 4254-15-3 (S)-Propane-1,2-diol (2S)-propane-1,2-diol (S)-1,2-Propanediol
Compound Description	-propane-1,2-diol is a propane-1,2-diol. It has a role as a human metabolite and an Escherichia coli metabolite. It is an enantiomer of a -propane-1,2-diol. -propane-1,2-diol is a clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. -Propane-1,2-diol is a metabolite found in or produced by Escherichia coli . S-1,2-Propanediol is a natural product found in Homo sapiens with data available.

Computed Properties

Molecular Weight:	76.09 g/mol
XLogP3:	-0.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	76.052429494 g/mol
Monoisotopic Mass:	76.052429494 g/mol
Topological Polar Surface Area:	40.5 Å²
Heavy Atom Count:	5
Formal Charge:	0
Complexity:	20.9
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	1
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Propylene Glycol

Butylene Glycol

Ethylene Glycol

Monoethanolamine

Glycerin

2,3-Butanediol

3-Chloro-1,2-propanediol

Acetoin

Beta-Mercaptoethanol

Glyceraldehyde

1,3-Propanediol

1,4-Butanediol

1-Aminopropan-2-ol

2-Chloroethanol

1-Methoxy-2-propanol

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (33.33%) Eye Irrit. 2A (100%) STOT SE 3 (33.33%)
precautionary statement codes	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
hazard statements	H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause irritation and CNS depression. See Propylene glycol.

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	(2S)-propane-1,2-diol
canonical smiles	CC(CO)O
inchi	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1
inchi key	DNIAPMSPPWPWGF-VKHMYHEASA-N
molecular formula	C3H8O2
synonyms	(S)-(+)-1,2-Propanediol 4254-15-3 (S)-Propane-1,2-diol (2S)-propane-1,2-diol (S)-1,2-Propanediol
Compound Description	-propane-1,2-diol is a propane-1,2-diol. It has a role as a human metabolite and an Escherichia coli metabolite. It is an enantiomer of a -propane-1,2-diol. -propane-1,2-diol is a clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations. -Propane-1,2-diol is a metabolite found in or produced by Escherichia coli . S-1,2-Propanediol is a natural product found in Homo sapiens with data available.

Computed Properties

Molecular Weight:	76.09 g/mol
XLogP3:	-0.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	76.052429494 g/mol
Monoisotopic Mass:	76.052429494 g/mol
Topological Polar Surface Area:	40.5 Å²
Heavy Atom Count:	5
Formal Charge:	0
Complexity:	20.9
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	1
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Propylene Glycol

Butylene Glycol

Ethylene Glycol

Monoethanolamine

Glycerin

2,3-Butanediol

3-Chloro-1,2-propanediol

Acetoin

Beta-Mercaptoethanol

Glyceraldehyde

1,3-Propanediol

1,4-Butanediol

1-Aminopropan-2-ol

2-Chloroethanol

1-Methoxy-2-propanol

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (33.33%) Eye Irrit. 2A (100%) STOT SE 3 (33.33%)
precautionary statement codes	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
hazard statements	H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (33.33%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	May cause irritation and CNS depression. See Propylene glycol.

Product No: AA6348

(S)-(+)-1,2-Propanediol, 97%

Product No: AA6348

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA6348

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?