2-Octen-1-ol,3,7-dimethyl-
Basic information
- CAS
40607-48-5- Standard SMILES
CC(=CCO)CCCC(C)C- InChIKey
JNAWJUOCXKIHHG-UHFFFAOYSA-N- Molecular formula
- C10H20O
- Average molar mass
- 156.26 g/mol
- Monoisotopic mass
- 156.15141526
Overview
3,7-Dimethyloct-2-en-1-ol has been reported in Corymbia citriodora, Eucalyptus radiata, and Eucalyptus polybractea with data available.
Names & identifiers
- Preferred name
- 2-Octen-1-ol,3,7-dimethyl-
- IUPAC
- 3,7-dimethyloct-2-en-1-ol
- English name
- 3,7-Dimethyl-2-octen-1-ol
- Molecular formula
- C10H20O
- Molecular weight
- 156.27
Names & synonyms
3,7-Dimethyl-2-octen-1-ol (cis trans mixture) (>90%)3,7-Dimethyl-2-octen-1-ol; 2-Octen-1-ol, 3,7-dimethyl-2-Octen-1-ol,3,7-dimethyl-CID 170398SCHEMBL163912SCHEMBL23728386DTXSID00866002QBA60748AKOS028108650SB84408DB-356703NS00058101
Show more names
6,7-DIHYDROGERANIOL2-Octen-1-ol, 3,7-diMethyl-3,7-dimethyloct-2-en-1-ol3,7-DIMETHYL-2-OCTEN-1-OL3,7-Dimethyl-2-octen-1-ol (cis trans mixture)
F8700683,7-Dimethyl-2-octen-1-ol 100 microg/mL in Acetonitrile
Database identifiers
- CAS
40607-48-5- PubChem CID
- 170398
- DTXSID
DTXSID00866002
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 12 Torr)
- Density
- 0.8627 g/cm3 · 0.8627 g/cm3
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- 14.72 · 14.72±0.10(Predicted)
- form
- Oil
- color
- Colourless to Pale Yellow
- EWG's Food Scores
- 1 · 1-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Toxicity
- 50 · rat,LD50,skin,> 2gm/kg (2000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 19S, 1992.
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
- Toxicity
- rat,LD50,skin,> 2gm/kg (2000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 19S, 1992.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3,7-Dimethyl-2-octen-1-ol, can be used as a fragrance, combined with other materials in deodorants.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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