1-Hexanol, 6-chloro-, 1-acetate
Basic information
- CAS
40200-18-8- Standard SMILES
CC(=O)OCCCCCCCl- InChIKey
AHEBJCQIQYFSGF-UHFFFAOYSA-N- Molecular formula
- C8H15ClO2
- Average molar mass
- 178.65 g/mol
- Monoisotopic mass
- 178.0760574
Names & identifiers
- Preferred name
- 1-Hexanol, 6-chloro-, 1-acetate
- IUPAC
- 6-chlorohexyl acetate
- English name
- 6-chlorohexyl acetate
- Molecular formula
- C8H15ClO2
- Molecular weight
- 178.66
Names & synonyms
40200-18-81-Hexanol, 6-chloro-, 1-acetate1-Hexanol, 6-chloro-, acetateEINECS 254-836-8DTXSID00885798RefChem:433040DTXCID8010251606-Chlorohexyl acetate6-chloro-1-hexyl acetate6-acetoxy chlorohexane6-chlorohexanol acetate8K2EQD3AE2
Show more names
Acetic acid 6-chlorohexyl ester1-hexylol,6-chloro-,1acetic acidsalt
SCHEMBL1532527SCHEMBL85680301-Hexanol,6-chloro-,1-acetateacetic acid 6-chloro-hexyl esterMFCD07780170AKOS006284906AS-82823DB-253535
Database identifiers
- CAS
40200-18-8- PubChem CID
- 170285
- DTXSID
DTXSID00885798- UNII
- 8K2EQD3AE2
- EC Number
- 254-836-8
- Nikkaji
- J246.797F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 113 · 113-116 °C(Press: 17 Torr)
- Density
- 1.0371 g/cm3 · 1.0371 g/cm3
- EPA Substance Registry System
- 1 · 1-Hexanol, 6-chloro-, acetate (40200-18-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Hexanol, 6-chloro-, 1-acetate: ACTIVE
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Related reactions
5 records
Compound notes
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