Isobornyl isovalerate supplier

Name
Isobornyl isovalerate
EINECS 231-935-4
CAS No. 7779-73-9
Density 0.97 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₆O₂
Boiling Point 260.6 °C at 760 mmHg
Molecular Weight 238.37
Flash Point 117.3 °C
Transport Information
Appearance Colorless liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isovalericacid, isobornyl ester (8CI);Isoborneol, isovalerate (8CI);Gynoval;Isobornyl3-methylbutanoate;Isobornyl isovalerate;Butanoicacid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-;
PSA 26.30000
LogP 3.79050

Isobornyl isovalerate Specification

The Isobornyl isovalerate, with the CAS registry number 7779-73-9, is also known as Gynoval. It belongs to the product category of Thiophen. Its EINECS registry number is 231-935-4. This chemical's molecular formula is C₁₅H₂₆O₂ and molecular weight is 238.37. What's more, its IUPAC name is (4,7,7-Trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylbutanoate. It is colorless liquid.

Physical properties about Isobornyl isovalerate are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3797.53; (6)ACD/BCF (pH 7.4): 3797.53; (7)ACD/KOC (pH 5.5): 12699.93; (8)ACD/KOC (pH 7.4): 12699.93; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 69.21 cm³; (15)Molar Volume: 244.3 cm³; (16)Surface Tension: 32.5 dyne/cm; (17)Density: 0.97 g/cm³; (18)Flash Point: 117.3 °C; (19)Enthalpy of Vaporization: 49.83 kJ/mol; (20)Boiling Point: 260.6 °C at 760 mmHg; (21)Vapour Pressure:0.0121 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC2CC1CCC2(C1(C)C)C)CC(C)C
(2) InChI: InChI=1/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3
(3) InChIKey: MPYYVGIJHREDBO-UHFFFAOYAC

Product Name

Isobornyl isovalerate

Isobornyl isovalerate Specification

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