Basic information
- CAS
85136-05-6- Standard SMILES
C=CC(C)(CC=C(C)C)C(O)CC- InChIKey
BLLRZXYXUWMGHJ-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
- IUPAC
- 4-ethenyl-4,7-dimethyloct-6-en-3-ol
- English name
- 4,7-dimethyl-4-vinyloct-6-en-3-ol
- Molecular formula
- C12H22O
- Molecular weight
- 182.3
Names & synonyms
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-85136-05-6EINECS 285-727-34,7-Dimethyl-4-vinyl-6-octene-3-olDTXSID10888659RefChem:544129DTXCID3010279354-ethenyl-4,7-dimethyloct-6-en-3-ol4,7-Dimethyl-4-vinyloct-6-en-3-olSCHEMBL296161BLLRZXYXUWMGHJ-UHFFFAOYSA-NNS00012344
Show more names
4-Ethenyl-4,7-dimethyl-6-octen-3-ol
Database identifiers
- CAS
85136-05-6- PubChem CID
- 174409
- DTXSID
DTXSID10888659- EC Number
- 285-727-3
- Nikkaji
- J309.776E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 257.6 · 257.6±9.0 °C(Predicted)
- Density
- 0.855 · 0.855±0.06 g/cm3(Predicted)
- pka
- 14.81 · 14.81±0.20(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.521 · 3.521 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 6 · 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl- (85136-05-6)
- 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.
Hazard information
Regulatory Information
Chemical: 6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information6-Octen-3-ol, 4-ethenyl-4,7-dimethyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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