Basic information
- CAS
33094-27-8- Standard SMILES
CCCCCCCCC(Cl)C(Cl)CCCCCCCC(=O)OC- InChIKey
KYPMPURXQCFWCJ-UHFFFAOYSA-N- Molecular formula
- C19H36Cl2O2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 366.20923575
Names & identifiers
- Preferred name
- Methyl 9,10-dichlorooctadecanoate
- IUPAC
- methyl 9,10-dichlorooctadecanoate
- English name
- 9,10-Dichlorostearic acid methyl ester
- Molecular formula
- C19H36Cl2O2
- Molecular weight
- 367.39
Names & synonyms
Methyl 9,10-dichlorooctadecanoateOctadecanoic acid, 9,10-dichloro-, methyl esterNSC 66465DTXSID30954724RefChem:157759DTXCID701382735KYPMPURXQCFWCJ-UHFFFAOYSA-N33094-27-89,10-Dichlorostearic acid methyl estermethyl 9,10-dichlorostearateNSC66465NSC-66465
Show more names
9,10-Dichlorooctadecanoic acid methyl ester
Methyl Dichlorostearate(mixture of isomers)Octadecanoic acid,10-dichloro-, methyl ester
Database identifiers
- CAS
33094-27-8- PubChem CID
- 93161
- DTXSID
DTXSID30954724- EC Number
- 690-135-7
- Nikkaji
- J110.841G
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Boiling point
- 423.8 · 423.8±25.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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