2-chloropropane-1,3-diol
2-chloro-1,3-propandiol
Identification
| Name | 2-chloropropane-1,3-diol |
| IUPAC | 2-chloropropane-1,3-diol |
| CAS Number | 497-04-1 |
| EINECS | 207-834-6 |
| FDA UNII | N6ZZ93MWJ4 |
| Molecular Formula | C3 H7 Cl O2 |
| Molecular Weight | 110.53919000 |
| Nikkaji Number | J6.100J |
| XlogP3 | -1.00 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 248.50 °C. @ 760.00 mm Hg (est) |
| Flash Point | 219.00 °F. TCC ( 104.10 °C. ) (est) |
| logP (o/w) | -0.690 (est) |
| Soluble in | water, 3.06e+005 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | indirect food additives: adhesives and components of coatings |
| Recommendation for 2-chloropropane-1,3-diol usage levels up to | not for fragrance use. |
| Recommendation for 2-chloropropane-1,3-diol flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
2-
chloro-1,3-propandiol
glycerol beta-chlorohydrin
1,3-
propanediol, 2-chloro-
PubMed:
Influence of oil composition on the formation of fatty acid esters of 2-chloropropane-1,3-diol (2-MCPD) and 3-chloropropane-1,2-diol (3-MCPD) under conditions simulating oil refining.
PubMed:
The simultaneous separation and determination of chloropropanols in soy sauce and other flavoring with gas chromatography-mass spectrometry in negative chemical and electron impact ionization modes.
PubMed:
Analytical methods for the determination of 3-chloro-1,2-propandiol and 2-chloro-1,3-propandiol in hydrolysed vegetable protein, seasonings and food products using gas chromatography/ion trap tandem mass spectrometry.
PubMed:
Epoxides as obligatory intermediates in the metabolism of alpha-halohydrins.