(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

• ChemBase ID: 152048
• Molecular Formular: C20H34O
• Molecular Mass: 290.48336
• Monoisotopic Mass: 290.26096571
• SMILES: CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C
• Canonical SMILES: C=CC(CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(O)C
• InChI: InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3
• InChIKey: IQDXAJNQKSIPGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol; 3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
• IUPAC Traditional name: (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol; 3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
• Synonyms: 3,7,11,15-Tetramethyl-1,6,10,14-cetene-3-ol; 3,7,11,15-Tetramethyl-3-hydroxy-1,6,10,14-hexadecatetraene; Geranyl Linalool; 3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol; Geranyllinalool; 3,7,11,15-TetraMethylhexadeca-1,6,10,14-tetraen-3-ol; 3,7,11,15-四甲基-1,6,10,14-十六碳四烯-3-醇; 香叶基芳樟醇

Database IDs

• CAS Number: 1113-21-9; 8931-30-6
• EC Number: 214-201-8
• MDL Number: MFCD00059363
• Beilstein Number: 6713421
• PubChem SID: 162246194
• PubChem CID: 5365872

CALCULATED PROPERTIES

• Acid pKa: 18.459389
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.966921
• LogD (pH = 7.4): 5.966921
• Log P: 5.966921
• Molar Refractivity: 97.8118 cm^3
• Polarizability: 37.32096 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 179 °C; 354.2 °F
• Density: 0.885 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.490

Safety Information

• RTECS: MM0335000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• 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

Product Information

• Purity: ≥95% (GC); 97%
• Grade: technical
• Empirical Formula (Hill Notation): C20H34O

DETAILS

Sigma Aldrich - 48809

Packaging
1 mL in glass bottle

Toronto Research Chemicals - G367750

Geranyl Linalool is am aliphatic genaryl derivative. Geranyl Linalool unlike other genaryl derivatives showed poor inhibitory activity against carotenoid synthesis in Synechococcus. Geranyl Linalool was identified as a testosterone-dependent volatile comp

REFERENCES

• Juettner, F. et al.: Zeitsch. Naturforsch. C J. Biosci., 38C, 387 (1983)
• Ponmanickam, P. et al.: Gen. Comp. Endocrinol., 167, 35 (2010):