Isopropyl 2-methylbutanoate supplier

Name
FEMA 3699
EINECS 266-411-4
CAS No. 66576-71-4
Article Data2
CAS DataBase
Density 0.874 g/cm³
Solubility 691mg/L at 20℃
Melting Point
Formula C₈H₁₆O₂
Boiling Point 144.4 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 34.7 °C
Transport Information UN 3272 3/PG 3
Appearance
Safety 24/25
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms 2-Methylbutanoicacid 1-methylethyl ester;Isopropyl 2-methylbutyrate;Propan-2-yl 2-methylbutanoate;
PSA 26.30000
LogP 1.98410

Isopropyl 2-methylbutanoate Specification

The Butanoic acid,2-methyl-, 1-methylethyl ester, with the CAS registry number 66576-71-4, is also known as 2-Methylbutanoicacid 1-methylethyl ester. It belongs to the product categories of Alphabetical Listings; Flavors and Fragrances; I-L. Its EINECS number is 266-411-4. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. What's more, its systematic name is propan-2-yl 2-methylbutanoate.

Physical properties of Butanoic acid,2-methyl-, 1-methylethyl ester are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.06; (6)ACD/BCF (pH 7.4): 44.06; (7)ACD/KOC (pH 5.5): 522.89; (8)ACD/KOC (pH 7.4): 522.89; (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: 1.409; (14)Molar Refractivity: 40.8 cm³; (15)Molar Volume: 164.8 cm³; (16)Polarizability: 16.17×10^-24cm³; (17)Surface Tension: 25.3 dyne/cm; (18)Density: 0.874 g/cm³; (19)Flash Point: 34.7 °C; (20)Enthalpy of Vaporization: 38.15 kJ/mol; (21)Boiling Point: 144.4 °C at 760 mmHg; (22)Vapour Pressure: 5.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)C)C(CC)C
(2)Std. InChI: InChI=1S/C8H16O2/c1-5-7(4)8(9)10-6(2)3/h6-7H,5H2,1-4H3
(3)Std. InChIKey: DIRDKDDFAMNBNY-UHFFFAOYSA-N

Product Name

FEMA 3699

Isopropyl 2-methylbutanoate Specification

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