Chemical Properties of 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)- (CAS 4128-17-0)

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-

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InChI
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChI Key
ZGIGZINMAOQWLX-NCZFFCEISA-N
Formula
C17H28O2
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCOC(C)=O
Molecular Weight1
264.40
CAS
4128-17-0
Other Names
  • (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
  • (2E,6E)-Farnesyl acetate
  • (E)-Farnesyl acetate
  • (E,E)-Farnesyl acetate
  • 2-trans-6-trans-Farnesyl acetate
  • Farnesyl acetate, (E,E)-
  • [(E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-yl]ester of acetic acid
  • all-trans-Farnesyl acetate
  • trans, trans-Farnesyl acetate
  • trans,trans-Farnesol acetate
  • trans-2-trans-6-Farnesyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf 73.35 kJ/mol Joback Calculated Property
Δfgas -316.72 kJ/mol Joback Calculated Property
Δfus 39.25 kJ/mol Joback Calculated Property
Δvap 62.71 kJ/mol Joback Calculated Property
logPoct/wat 4.97 Crippen Calculated Property
Pc 1442.44 kPa Joback Calculated Property
Tboil 393.20 K NIST
Tc 866.41 K Joback Calculated Property
Tfus 296.39 K Joback Calculated Property
Vc 0.95 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 666.60 J/mol×K 676.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 3
>C=O (nonring) 1
-CH2- 5
=CH- 3
-CH3 5

Similar Compounds

Farnesyl acetate. 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-. (Z,E)-Farnesyl acetate. (Z)-Farnesyl acetate. (E,Z)-farnesyl acetate. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate. Geranyl acetate. Acetic acid, geranyl ester. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. (2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl formate. Farnesol formate. Farnesyl butanoate.

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