3-Chloro-2-hydroxypropyl acetate

HCID 98069

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Basic information

CAS: 24573-30-6
Standard SMILES: CC(=O)OCC(O)CCl
InChIKey: NNIBUEQIBYRALP-UHFFFAOYSA-N
Molecular formula: C5H9ClO3
Average molar mass: 152.57 g/mol
Monoisotopic mass: 152.02402183

Names & identifiers

Preferred name: 3-Chloro-2-hydroxypropyl acetate
IUPAC: (3-chloro-2-hydroxypropyl) acetate
English name: Acetic acid 2-hydroxy-3-chloropropyl ester
Molecular formula: C5H9ClO3
Molecular weight: 152.58

Names & synonyms

3-chloro-2-hydroxypropyl acetate24573-30-6(3-chloro-2-hydroxypropyl) acetateMFCD01698128Acetic acid 2-hydroxy-3-chloropropyl ester1,2-Propanediol, 3-chloro-, 1-acetate(3-Chloro-2-hydroxy-propyl) acetate3-Chloro-1,2-propanediol 1-acetateNSC 740103-Chloro-1,2-propanediol-1-acetateBRN 17517781-acetoxy-3-chloro-2-propanol

Show more names

U-25792Acetic acid 2-hydroxy-3-chloro-propyl ester

Acetic acid, 3-chloro-2-hydroxypropyl esterNSC74010U 25,7923-chloro-2-hydroxy-1-propyl acetate1, 3-chloro-, 1-acetateSCHEMBL2048053-chloro-2-hydroxypropylacetate1-acetyloxy-3-chloropropan-2-ol

Database identifiers

CAS: 24573-30-6
PubChem CID: 98069
DTXSID: DTXSID801285790
Nikkaji: J64.319J

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 94.2

Physicochemical properties

Boiling point: 120 · 120-121 °C(Press: 14 Torr)
Density: 1.244 g/cm3 · 1.244 g/cm3
pka: 13 · 13.00±0.20(Predicted)
form: liquid
color: Pale yellow
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
HS Code: 2918999090 · 2918999090

Safety & regulation

Safety data

hs_code: 2918999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501