Basic information
- CAS
30557-04-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(O)CCl- InChIKey
CHBIHFLJUKBYRJ-UHFFFAOYSA-N- Molecular formula
- C19H37ClO3
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.2431227
Overview
induces tubular cell apoptosis
Names & identifiers
- Preferred name
- 3-Chloro-1,2-propanediol 1-palmitate
- IUPAC
- (3-chloro-2-hydroxypropyl) hexadecanoate
- English name
- 1-Palmitoyl-3-chloropropanediol
- Molecular formula
- C19H37ClO3
- Molecular weight
- 348.95
Names & synonyms
30557-04-13-Chloro-1,2-propanediol 1-PalmitateHexadecanoic acid, 3-chloro-2-hydroxypropyl esterF94G01857T3-MCPD 1-palmitateRefChem:93360rac 1-Palmitoyl-3-chloropropanediol3-Chloro-2-hydroxypropyl hexadecanoate(3-chloro-2-hydroxypropyl) hexadecanoate3-chloro-2-hydroxypropyl palmitate1-PALMITOYL-3-CHLOROPROPANEDIOLC19H37ClO3
Show more names
Ethyl Acetate Impurity 911-palmitoyl-3-chloro-1,2-propanediolPalmitic Acid 3-Chloro-2-hydroxypropyl EsterHexadecanoic Acid 3-Chloro-2-hydroxypropyl Ester3-Chloro-1,2-propandiol-1-monopalmitate in toluene
UNII-F94G01857TPalmitic acid, 3-chloro-2-hydroxypropyl ester (8CI); 3-Chloro-1,2-propanediol 1-palmitate; Rac-1-palmitoyl-3-chloropropane-1,2-diolSCHEMBL27916649DTXSID50952848MSK1777MFCD07369625HY-W587420BP-29914
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 27 · 27-28°C
- Boiling point
- 444.2 · 444.2±25.0 °C(Predicted)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Sparingly), Dichloromethane (Slightly), Ethyl Acetate (Slightly)
- form
- Low-Melting Solid
- pka
- 12.75 · 12.75±0.20(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 30557 · 30557-04-1
- FDA UNII
- 94 G01857T · F94G01857T
Chemistry & industry
Applications
UsesFatty acid ester with glycerol chlorohydrins shows mutagenic activity
Upstream & downstream products
Downstream products
Suppliers18 total
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
青岛贞开生物医药技术有限公司0532-58268781 18561687109 · [email protected]
深圳聚合生化科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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