Product Name

  • Name

    GERANYL CAPROATE

  • EINECS 233-102-0
  • CAS No. 10032-02-7
  • Article Data7
  • CAS DataBase
  • Density 0.891 g/cm3
  • Solubility
  • Melting Point
  • Formula C16H28 O2
  • Boiling Point 333.3ºC at 760 mmHg
  • Molecular Weight 252.397
  • Flash Point 101.3 ºC
  • Transport Information
  • Appearance
  • Safety A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 10032-02-7 (GERANYL CAPROATE)
  • Hazard Symbols
  • Synonyms Hexanoicacid, (2E)-3,7-dimethyl-2,6-octadienyl ester (9CI); Hexanoic acid,3,7-dimethyl-2,6-octadienyl ester, (E)- (8CI); 2,6-Octadien-1-ol,3,7-dimethyl-, hexanoate, (E)- (8CI); Geraniol caproate; Geraniol hexanoate;Geranyl caproate; Geranyl hexanoate
  • PSA 26.30000
  • LogP 4.80260

Synthetic route

Geraniol
106-24-1

Geraniol

2,2'-bipyridyl-6-yl hexanoate
75178-10-8

2,2'-bipyridyl-6-yl hexanoate

A

geraniol hexanoate
10032-02-7

geraniol hexanoate

B

<2,2'-bipyridin>-6(1H)-one
101001-90-5

<2,2'-bipyridin>-6(1H)-one

Conditions
ConditionsYield
With cesium fluoride In acetonitrile for 7h; Heating;A 88%
B n/a
Geraniol
106-24-1

Geraniol

Caproamide
628-02-4

Caproamide

geraniol hexanoate
10032-02-7

geraniol hexanoate

Conditions
ConditionsYield
With scandium tris(trifluoromethanesulfonate) In n-heptane at 100℃; for 24h;85%
Geraniol
106-24-1

Geraniol

hexanoic acid
142-62-1

hexanoic acid

geraniol hexanoate
10032-02-7

geraniol hexanoate

Conditions
ConditionsYield
With sodium hydroxide at 80℃; for 8h;76.72%
In water at 30℃; for 18h; lipase from Penicillium cyclopium; Yield given;
With rapeseed lipase acetone powder In hexane at 40℃; for 48h; Enzymatic reaction;
Nerol
106-25-2

Nerol

n-hexanoic anhydride
2051-49-2

n-hexanoic anhydride

A

geraniol hexanoate
10032-02-7

geraniol hexanoate

B

(Z)-3,7-dimethyl-2,6-octadienyl ester hexanoic acid
68310-59-8

(Z)-3,7-dimethyl-2,6-octadienyl ester hexanoic acid

Conditions
ConditionsYield
With lipase from hog pancreas In diethyl ether at 20℃; Product distribution; Rate constant; also with other lipases; other solvents;
Geraniol
106-24-1

Geraniol

hexanoic acid, 1,2,3-propanetriyl ester
621-70-5

hexanoic acid, 1,2,3-propanetriyl ester

geraniol hexanoate
10032-02-7

geraniol hexanoate

Conditions
ConditionsYield
With Pseudomonas sp. lipase PS In hexane at 30℃; for 24h; also DL-citronellol and tributyrin; effect of enzyme load, concentration of reagents, addtion of water and pH; var. temp. and solvents;

[(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate Chemical Properties

IUPAC Name: [(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate
CAS: 10032-02-7
The Molecular formula of [(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate (CAS NO.10032-02-7): C16H28O2
The Molecular Weight of [(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate (CAS NO.10032-02-7): 252.39
The Molecular Structure of [(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate (CAS NO.10032-02-7):

Density: 0.891 g/cm
Flash Point: 101.3 °C 
Boiling Point: 333.3 °C at 760 mmHg 
Index of Refraction: 1.461 
Molar Refractivity: 77.75 cm
Molar Volume: 282.9 cm
Polarizability: 30.82×10-24cm3 
Surface Tension: 29.6 dyne/cm 
Enthalpy of Vaporization: 57.61 kJ/mol 
Vapour Pressure: 0.000138 mmHg at 25°C 
Water Solubility: 0.07261(mg/L) at 25°C 

[(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    FCTXAV    Food and Cosmetics Toxicology. 14 (1976),783.

[(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate Consensus Reports

Reported in EPA TSCA Inventory.

[(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

[(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate Specification

  [(2E)-3,7-Dimethylocta-2,6-dienyl] hexanoate with CAS number of 10032-02-7 is also named as (2E)-3,7-Dimethyl-2,6-octadienyl hexanoate ; (E)-3,7-Dimethylocta-2,6-dien-1-yl n-hexanoate ; (e)-3,7-Dimethylocta-2,6-dien-1-yln-hexanoate ; 2,6-Octadien-1-ol, 3,7-dimethyl-, hexanoate, (E)- ; 3,7-Dimethyl-,hexanoate,(e)-6-octadien-1-ol ; 3,7-Dimethyl-2,6-octadienylester,(e)-hexanoicaci ; 3,7-Dimethylocta-2,6-dien-1-ylester,(e)-hexanoicaci ; Geranyl hexanoate . Natural products present in the kumquat skin oil, passion fruit (purple), and papaya in. It can be used for food spices.
 

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