1-Hexanol, 3,3,5-trimethyl-, 1-acetate
Basic information
- CAS
61836-75-7- Standard SMILES
CC(=O)OCCC(C)(C)CC(C)C- InChIKey
GLSWNDHZBIBVLB-UHFFFAOYSA-N- Molecular formula
- C11H22O2
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.16197994
Names & identifiers
- Preferred name
- 1-Hexanol, 3,3,5-trimethyl-, 1-acetate
- IUPAC
- 3,3,5-trimethylhexyl acetate
- English name
- 3,3,5-trimethylhexyl acetate
- Molecular formula
- C11H22O2
- Molecular weight
- 186.29
Names & synonyms
61836-75-71-Hexanol, 3,3,5-trimethyl-, acetate1-Hexanol, 3,3,5-trimethyl-, 1-acetateEINECS 263-269-5DTXSID30885928RefChem:75918DTXCID3010252843,3,5-Trimethylhexyl acetateSCHEMBL156011GLSWNDHZBIBVLB-UHFFFAOYSA-NDB-314735NS00054248
Show more names
Acetic acid 3,3,5-trimethylhexyl ester
Database identifiers
- CAS
61836-75-7- PubChem CID
- 112755
- DTXSID
DTXSID30885928- EC Number
- 263-269-5
- Nikkaji
- J306.919B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Hexanol, 3,3,5-trimethyl-, acetate (61836-75-7)
- 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, 3,3,5-trimethyl-, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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