9-Dodecen-1-ol
Basic information
- CAS
35148-18-6- Standard SMILES
CCC=CCCCCCCCCO- InChIKey
GJNNIRNIXNLOJP-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Overview
dodeca-9-en-1-ol has been reported in Etlingera elatior with data available.
Names & identifiers
- Preferred name
- 9-Dodecen-1-ol
- IUPAC
- dodec-9-en-1-ol
- English name
- 9-DODECEN-1-OL,(Z)-
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
dodec-9-en-1-ol9-Dodecen-1-ol9-Dodecen-1-ol, (9Z)-9E-12OH35148-18-6(Z)-9-dodecen-1-ol91856-11-0E-9-Dodecen-1-olSCHEMBL517911SCHEMBL95085689-DODECEN-1-OL,(Z)-DTXSID801317400
Show more names
(Z)-Dodec-9-en-1-ol9Z-12OH9Z-120HAi3-35870(Z)-9-dodecenol9Z-Dodecen-1-olz-9-DODECEN-1-OLdodeca-9-en-1-ol(9Z)-Dodecen-1-ol9-(Z)-Dodecen-1-ol
KBA14818KBA23762LMFA05000636
Database identifiers
- CAS
35148-18-6、91856-11-0- PubChem CID
- 93181
- DTXSID
DTXSID801317400- EC Number
- 609-079-1、618-796-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Physicochemical properties
- Boiling point
- 272.1 · 272.1±9.0℃ (760 Torr)
- Density
- 0.846 · 0.846±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 100 · 100.0±15.0℃
- pka
- 15.2 · 15.20±0.10(Predicted)
- LogP
- 4.505 · 4.505 (est)
- EPA Substance Registry System
- 9 · 9-Dodecen-1-ol, (9Z)- (35148-18-6)
- Signal word
- Warning
- Hazard statements
- 413 · H413
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: (Z)-dodec-9-en-1-ol (EC: 609-079-1)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9-Dodecen-1-ol, (9Z)-: ACTIVE
Applications
Uses(9Z)-Dodecen-1-ol is derived from 2-Decyn-1-ol (D228475), which is used in the synthesis of antitumor agents, isomers of Panaxytriol and Falcarinol (F101100). Also used in the synthesis of aromatase inhibitors used in the treatment of cancers, primarily breast and ovarian.
Additional notes
DefinitionChEBI: 9Z-Dodecen-1-ol is an aliphatic alcohol.
Related reactions
3 records
Compound notes
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