Chemical Properties of Linalool (CAS 78-70-6)

Linalool

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InChI
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChI Key
CDOSHBSSFJOMGT-UHFFFAOYSA-N
Formula
C10H18O
SMILES
C=CC(C)(O)CCC=C(C)C
Molecular Weight1
154.25
CAS
78-70-6
Other Names
  • (.+/-.)-Linalool
  • 1,6-Octadien-3-ol, 3,7-dimethyl-
  • 2,6-Dimethyl-2,7-octadien-6-ol
  • 2,6-Dimethyl-2,7-octadiene-6-ol
  • 2,6-Dimethylocta-2,7-dien-6-ol
  • 2,6-dimethyl-2,7-octadien-6-ol (linalool)
  • 3,7-Dimethyl-1,6-octadien-3-ol
  • 3,7-Dimethylocta-1,6-dien-3-ol
  • 3,7-dimethyl-1,6-octadien-3-ol (linalool)
  • 3,7-dimethyl-1,6-octandien-3-ol (linalool)
  • 3,7-dimethylocta-1,6-dien-3-ol (linalool)
  • LINOLOOL (D)
  • Linalol
  • Linalool ex bois de rose oil
  • Linalool ex ho oil
  • Linalool ex orange oil
  • Linalool, «beta»
  • Linaloyl oxide
  • Linalyl alcohol
  • Linanool
  • Linolool
  • NSC 3789
  • Phantol
  • allo-Ocimenol
  • b-Linalool
  • beta-Linalool
  • dl-3,7-Dimethyl-3-hydroxy-1,6-octadiene
  • linalool B
  • p-Linalool
  • «beta»-Linalool
Sources

Physical Properties

Property Value Unit Source
Δf 58.85 kJ/mol Joback Calculated Property
Δfgas -177.85 kJ/mol Joback Calculated Property
Δfus 15.94 kJ/mol Joback Calculated Property
Δvap 65.00 kJ/mol NIST
Δvap 55.30 kJ/mol NIST
logPoct/wat 2.67 Crippen Calculated Property
Pc 2581.96 kPa Joback Calculated Property
Tboil [468.70; 471.80] K Show Hide
Tboil 471.75 ± 0.50 K NIST
Tboil 471.80 ± 0.50 K NIST
Tboil 471.80 ± 1.00 K NIST
Tboil 471.80 ± 0.50 K NIST
Tboil 468.70 K NIST
Tc 697.57 K Joback Calculated Property
Tfus 244.90 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 347.03 J/mol×K 517.87 Joback Calculated Property
Cp,liquid 372.40 J/mol×K 293.1 NIST
Cp,liquid 372.40 J/mol×K 293.1 NIST
ΔvapH 51.40 kJ/mol 398.0 NIST
ΔvapH 50.30 kJ/mol 437.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< 1
=CH2 1
-CH2- 2
>C< 1
=CH- 2
-CH3 3
-OH (alcohol) 1

Similar Compounds

(R)-linalool. ( S)-linalool. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-. (Z)-8-Hydroxylinalool. cis-2,6-Dimethyl-2,7-octadien-1,6-diol. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (Z)-. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (E)-. (E)-8-Hydroxylinalool. «beta»-Nerolidol. Nerolidol isomer. Nerolidol. 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-. +/--trans-Nerolidol. «beta»-Nerolidol. 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-.

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