Geranyl isovalerate supplier

Name
GERANYL ISOVALERATE
EINECS 203-655-2
CAS No. 109-20-6
Article Data5
CAS DataBase
Density 0.893 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₆O₂
Boiling Point 312.121 °C at 760 mmHg
Molecular Weight 238.37
Flash Point 97.527 °C
Transport Information
Appearance colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Geraniol isovalerate;Geranyl3-methylbutanoate;Isovaleric acid geranyl ester;3,7-Dimethyl-2,6-octadien-1-yl 3-methylbutanoate, trans-;Butanoicacid, 3-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester (9CI);Butanoic acid,3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)-;Isovaleric acid,3,7-dimethyl-2,6-octadienyl ester, (E)- (8CI);
PSA 26.30000
LogP 4.26840

Geranyl isovalerate Consensus Reports

Reported in EPA TSCA Inventory.

Geranyl isovalerate Specification

The IUPAC name of Geranyl isovalerate is [(3E)-3,7-dimethylocta-3,6-dienyl] 3-methylbutanoate. With the CAS registry number 109-20-6, it is also named as 3,7-Dimethyl-2,6-octadien-1-yl 3-methylbutanoate, trans-. The product's categories are Alphabetical Listings; Flavors and Fragrances; G-H. Besides, it is colorless to slightly yellow liquid, which is insoluble in water, but soluble in Alcohol. In addition, its molecular formula is C₁₅H₂₆O₂ and molecular weight is 238.37.

The other characteristics of this product can be summarized as: (1)EINECS: 203-655-2; (2)ACD/LogP: 5.51; (3)# of Rule of 5 Violations: 1; (4)#H bond acceptors: 2; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 8; (7)Polar Surface Area: 26.3 Å²; (8)Index of Refraction: 1.459; (9)Molar Refractivity: 73.07 cm³; (10)Molar Volume: 266.8 cm³; (11)Polarizability: 28.96×10^-24cm³; (12)Surface Tension: 28.7 dyne/cm; (13)Density: 0.893 g/cm³; (14)Flash Point: 97.5 °C; (15)Enthalpy of Vaporization: 55.31 kJ/mol; (16)Boiling Point: 312.1 °C at 760 mmHg; (17)Vapour Pressure: 0.00054 mmHg at 25 °C.

Preparation and Uses of Geranyl isovalerate: this chemical can be obtained by azeotropy and esterification of Geraniol and Isovaleric acid. Moreover, it can be used as flavors.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC/C=C(/CC/C=C(\C)C)C)CC(C)C
(2)InChI: InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
(3)InChIKey: SOUKTGNMIRUIQN-NTEUORMPBI
(4)Std. InChI: InChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
(5)Std. InChIKey: SOUKTGNMIRUIQN-NTEUORMPSA-N

Product Name

GERANYL ISOVALERATE

Geranyl isovalerate Consensus Reports

Geranyl isovalerate Specification

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