Butanoic acid,2-methyl-, 3-methylbutyl ester supplier

Name
FEMA 3505
EINECS 248-581-1
CAS No. 27625-35-0
Article Data1
CAS DataBase
Density 0.87 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀O₂
Boiling Point 185 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 65.2 °C
Transport Information
Appearance Colorless Liquid
Safety 26-36
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methylbutyl2-methylbutanoate;3-Methylbutyl 2-methylbutyrate;Isoamyl 2-methylbutanoate;Isoamyl 2-methylbutyrate;Isoamyl a-methylbutyrate;Isopentyl 2-methylbutanoate;Isopentyl 2-methylbutyrate;
PSA 26.30000
LogP 2.62180

Butanoic acid,2-methyl-, 3-methylbutyl ester Specification

The Butanoic acid,2-methyl-, 3-methylbutyl ester, with the CAS registry number 27625-35-0, is also known as Isoamyl 2-methylbutanoate. Its EINECS number is 248-581-1. This chemical's molecular formula is C₁₀H₂₀O₂ and molecular weight is 172.26. What's more, its IUPAC name is 3-methylbutyl 2-methylbutanoate.

Physical properties of Butanoic acid,2-methyl-, 3-methylbutyl ester are: (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/BCF (pH 5.5): 282.93; (5)ACD/KOC (pH 5.5): 1979.34; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 50.06 cm³; (12)Molar Volume: 197.8 cm³; (13)Surface Tension: 26.6 dyne/cm; (14)Density: 0.87 g/cm³; (15)Flash Point: 65.2 °C; (16)Enthalpy of Vaporization: 42.12 kJ/mol; (17)Boiling Point: 185 °C at 760 mmHg; (18)Vapour Pressure: 0.713 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)C(=O)OCCC(C)C
(2)InChI: InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
(3)InChIKey: VGIRHYHLQKDEPP-UHFFFAOYSA-N

Product Name

FEMA 3505

Butanoic acid,2-methyl-, 3-methylbutyl ester Specification

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