2-Dodecen-1-ol

HCID 90733

Notes Reactions

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Basic information

CAS: 22104-81-0
Standard SMILES: CCCCCCCCCC=CCO
InChIKey: MLRYPOCSLBIUHY-UHFFFAOYSA-N
Molecular formula: C12H24O
Average molar mass: 184.32 g/mol
Monoisotopic mass: 184.18271539

Names & identifiers

Preferred name: 2-Dodecen-1-ol
IUPAC: dodec-2-en-1-ol
English name: TRANS-2-DODECEN-1-OL
Molecular formula: C12H24O
Molecular weight: 184.32

Names & synonyms

2-Dodecen-1-ol22104-81-0DTXSID3066760EINECS 244-786-5AI3-34387RefChem:86795DTXCID8036609dodec-2-en-1-ol(E)-2-dodecen-1-olSCHEMBL294781SCHEMBL654500SCHEMBL8436174

Show more names

Dodecenol2-DodecenolTRANS-2-DODECENOLTRANS-2-DODECEN-1-OLCONTAINS:2-DODECEN-1-OL2-Dodecenol (E/Z Mixture)

SCHEMBL8436178XAA10481DB-045795NS00012354NS00083553

Database identifiers

CAS: 22104-81-0
PubChem CID: 90733
DTXSID: DTXSID3066760
EC Number: 244-786-5

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 13
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 105 °C · 105°C (estimate)
Boiling point: 283.3 °C · 283.3°C (estimate)
Density: 0.846 g/mL · 0.846 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.453
storage temp.: Refrigerator
solubility: Chloroform, Methanol (Slightly)
form: Oil
color: Colourless
Odor: 10 % · at 10.00 % in dipropylene glycol. fatty
Odor Type: fatty
Cosmetics Ingredients Functions: PERFUMING
LogP: 4.712 · 4.712 (est)
EPA Substance Registry System: 2 · 2-Dodecen-1-ol (22104-81-0)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
F: 10 · 10-23
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 89 of 89 reports by companies.；There are 0 notifications provided by 0 of 89 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

Chemical: 2-Dodecen-1-ol

2-Dodecen-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Regulatory information

Regulatory Information · 2 items

Chemical: 2-Dodecen-1-ol

2-Dodecen-1-ol: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F: 10-23
wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Dodecen-1-ol: ACTIVE

Applications

Uses2-Dodecenol is a volatile compound found in Tunisian coriander (Coriandrum sativum L.) leaves. It is also used as a useful reagent in organic synthesis.