Chemical Properties of Geranyl tiglate (CAS 7785-33-3)

Geranyl tiglate

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InChI
InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
InChI Key
OGHBUHJLMHQMHS-KRDNBFTESA-N
Formula
C15H24O2
SMILES
CC=C(C)C(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
236.35
CAS
7785-33-3
Other Names
  • 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 2-methyl-2-butenoate, (E,E)--
  • cis-«alpha»,«beta»-Dimethyl acrylic acid, geraniol ester
  • trans-3,7-Dimethyl-2,6-octadien-1-yl cis-«alpha»,«beta»-dimethyl acrylate
  • Tiglic acid, geraniol ester
  • (2E)-3,7-Dimethyl-2,6-octadienyl (2E)-2-methyl-2-butenoate
  • (E)-(E)-3,7-Dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate
  • (E)-3,7-Dimethylocta-2,6-dienyl (E)-2-methylbut-2-enoate
  • Gernyl tiglate
  • Geranyl (E)-2-methyl-2-butenoate
  • (E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate
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Physical Properties

Property Value Unit Source
Δf 56.51 kJ/mol Joback Calculated Property
Δfgas -275.44 kJ/mol Joback Calculated Property
Δfus 34.07 kJ/mol Joback Calculated Property
Δvap 58.25 kJ/mol Joback Calculated Property
log10WS -4.52 Crippen Calculated Property
logPoct/wat 4.189 Crippen Calculated Property
McVol 216.750 ml/mol McGowan Calculated Property
Pc 1678.28 kPa Joback Calculated Property
Inp [1649.00; 1712.00]   Show Hide
Inp 1704.00 NIST
Inp 1675.00 NIST
Inp 1675.00 NIST
Inp 1675.00 NIST
Inp 1671.00 NIST
Inp 1675.00 NIST
Inp 1675.00 NIST
Inp 1672.00 NIST
Inp Outlier 1649.00 NIST
Inp 1688.00 NIST
Inp 1700.00 NIST
Inp 1703.00 NIST
Inp 1695.00 NIST
Inp 1705.00 NIST
Inp 1700.00 NIST
Inp 1703.00 NIST
Inp 1712.00 NIST
Inp 1696.00 NIST
Inp 1672.00 NIST
Inp 1700.00 NIST
Inp 1673.00 NIST
Inp 1659.00 NIST
Inp 1700.00 NIST
Inp 1703.00 NIST
Inp Outlier 1649.00 NIST
I [2096.00; 2129.00]   Show Hide
I 2129.00 NIST
I 2097.00 NIST
I 2105.00 NIST
I 2109.00 NIST
I 2096.00 NIST
I 2109.00 NIST
Tboil 631.01 K Joback Calculated Property
Tc 824.40 K Joback Calculated Property
Tfus 273.85 K Joback Calculated Property
Vc 0.843 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [558.71; 647.37] J/mol×K [631.01; 824.40] Show Hide
Cp,gas 558.71 J/mol×K 631.01 Joback Calculated Property
Cp,gas 575.50 J/mol×K 663.24 Joback Calculated Property
Cp,gas 591.43 J/mol×K 695.47 Joback Calculated Property
Cp,gas 606.52 J/mol×K 727.71 Joback Calculated Property
Cp,gas 620.85 J/mol×K 759.94 Joback Calculated Property
Cp,gas 634.44 J/mol×K 792.17 Joback Calculated Property
Cp,gas 647.37 J/mol×K 824.40 Joback Calculated Property

Similar Compounds

Neryl angelate. (Z)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate. Neryl tiglate. Neryl methacrylate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. Geranyl propionate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate. Succinic acid, di(geranyl) ester. Succinic acid, di(neryl) ester. Succinic acid, 3-methylbut-2-en-1-yl neryl ester. 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-. (Z)-Farnesyl acetate. Farnesyl acetate. 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-.

Find more compounds similar to Geranyl tiglate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.