(9Z)-tetradec-9-en-1-ol

• ChemBase ID: 139071
• Molecular Formular: C14H28O
• Molecular Mass: 212.37152
• Monoisotopic Mass: 212.21401552
• SMILES: CCCC/C=C\CCCCCCCCO
• Canonical SMILES: CCCC/C=C\CCCCCCCCO
• InChI: InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,15H,2-4,7-14H2,1H3/b6-5-
• InChIKey: GSAAJQNJNPBBSX-WAYWQWQTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9Z)-tetradec-9-en-1-ol
• IUPAC Traditional name: 9-tetradecen-1-ol (Z)
• Synonyms: (Z)-9-TDOL; Z-9-TDOL; Myristoleyl alcohol; cis-9-Tetradecenol; 肉豆蔻烯醇; 顺-9-十四碳烯醇

Database IDs

• CAS Number: 35153-15-2
• EC Number: 252-401-7
• MDL Number: MFCD00009993
• PubChem SID: 24899876; 162233322; 24899995; 24854971
• PubChem CID: 5364712

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.8890867
• LogD (pH = 7.4): 4.8890867
• Log P: 4.8890867
• Molar Refractivity: 69.2615 cm^3
• Polarizability: 26.934582 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 143.6 °F; 144 °F; 62 °C
• Refractive Index: n20/D 1.457(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ~95%; ~99%; 96%
• Linear Formula: CH3(CH2)3CH=CH(CH2)8OH

DETAILS

Sigma Aldrich - T0268

Biochem/physiol Actions
Pheromone for Homoeosoma electellum
Packaging
Sealed ampule (liquid).

Sigma Aldrich - T1894

Biochem/physiol Actions
Pheromone for Homoeosoma electellum
Packaging
Sealed ampule (liquid).

Sigma Aldrich - 249033

Biochem/physiol Actions
Pheromone for Homoeosoma electellum