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