Basic information
- CAS
24089-00-7- Standard SMILES
C=CC(C)(O)CCCCC- InChIKey
DRKRLMZMGTWUSQ-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 3-Methyloct-1-en-3-ol
- IUPAC
- 3-methyloct-1-en-3-ol
- English name
- 3-methyloct-1-en-3-ol
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
3-Methyloct-1-en-3-ol1-OCTEN-3-OL, 3-METHYL-24089-00-7Aprol 1603-Methyl-1-octen-3-ol3-Methyl-1-octen-olEINECS 246-015-8BRN 1850884VS5RZ4016TDTXSID40865135RefChem:504280DTXCID90813580
Show more names
246-015-8UNII-VS5RZ4016TSCHEMBL294887SCHEMBL8899581DRKRLMZMGTWUSQ-UHFFFAOYSA-NAKOS019123636Aprol 160, 3-Methyl-1-octen-ol, 3-Methyl-1-octen-3-ol, 3-Methyloct-1-en-3-ol, EINECS 246-015-8, 1-OCTEN-3-OL, 3-METHYL-, CID32207, BRN 1850884, LS-98122, 24089-00-7DB-280029
Database identifiers
- CAS
24089-00-7- PubChem CID
- 32207
- DTXSID
DTXSID40865135- UNII
- VS5RZ4016T
- EC Number
- 246-015-8
- Nikkaji
- J65.665H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.9
Physicochemical properties
- Melting point
- -7 °C · -7°C (estimate)
- Boiling point
- 224.85 °C · 224.85°C (estimate)
- Density
- 0.866 · 0.8660 (estimate)
- refractive index
- 1.4391 · 1.4391 (estimate)
- pka
- 14.7 · 14.70±0.29(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.93 · 2.930 (est)
- CAS DataBase Reference
- 24089 · 24089-00-7
- FDA UNII
- 5 RZ4016T · VS5RZ4016T
- EPA Substance Registry System
- 1 · 1-Octen-3-ol, 3-methyl- (24089-00-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Octen-3-ol, 3-methyl-
1-Octen-3-ol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octen-3-ol, 3-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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