1-Pentanol, 3-methyl-,1-acetate supplier

Name
3-METHYLPENTYL ACETATE
EINECS 252-785-6
CAS No. 35897-13-3
Article Data3
CAS DataBase
Density 0.876 g/cm³
Solubility
Melting Point -80.9°C (estimate)
Formula C₈H₁₆O₂
Boiling Point 156.3 °C at 760 mmHg
Molecular Weight 144.214
Flash Point 46.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Pentanol,3-methyl-, acetate (6CI,7CI,9CI);3-Methyl-1-pentyl acetate;3-Methylpentyl acetate;
PSA 26.30000
LogP 1.98570

1-Pentanol, 3-methyl-,1-acetate Specification

The 1-Pentanol, 3-methyl-,1-acetate, with the CAS registry number 35897-13-3, is also known as 3-Methyl-1-pentyl acetate. Its EINECS number is 252-785-6. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. What's more, its IUPAC name is 3-methylpentyl acetate.

Physical properties of 1-Pentanol, 3-methyl-,1-acetate are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/BCF (pH 5.5): 60.79; (5)ACD/KOC (pH 5.5): 658.39; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 26.3 Å²; (10)Index of Refraction: 1.411; (11)Molar Refractivity: 40.84 cm³; (12)Molar Volume: 164.4 cm³; (13)Surface Tension: 26.3 dyne/cm; (14)Density: 0.876 g/cm³; (15)Flash Point: 46.7 °C; (16)Enthalpy of Vaporization: 39.3 kJ/mol; (17)Boiling Point: 156.3 °C at 760 mmHg; (18)Vapour Pressure: 2.91 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)CCOC(=O)C
(2)InChI: InChI=1S/C8H16O2/c1-4-7(2)5-6-10-8(3)9/h7H,4-6H2,1-3H3
(3)InChIKey: NFYJZIICTJCGOR-UHFFFAOYSA-N

Product Name

3-METHYLPENTYL ACETATE

1-Pentanol, 3-methyl-,1-acetate Specification

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