Heptadecanoic acid,16-methyl-, 1-methylethyl ester supplier

Name
isopropyl 16-methylheptadecanoate
EINECS 250-651-1
CAS No. 31478-84-9
Density 0.86 g/cm³
Solubility
Melting Point
Formula C₂₁H₄₂O₂
Boiling Point 360.7 °C at 760 mmHg
Molecular Weight 326.55698
Flash Point 183.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isopropyl 16-methylheptadecanoate;
PSA 26.30000
LogP 7.05540

Heptadecanoic acid,16-methyl-, 1-methylethyl ester Specification

The Heptadecanoic acid,16-methyl-, 1-methylethyl ester, with the CAS registry number 31478-84-9, is also known as Isopropyl 16-methylheptadecanoate. Its EINECS registry number is 250-651-1. This chemical's molecular formula is C₂₁H₄₂O₂ and molecular weight is 326.55698. Its IUPAC name is called propan-2-yl 16-methylheptadecanoate.

Physical properties of Heptadecanoic acid,16-methyl-, 1-methylethyl ester: (1)ACD/LogP: 9.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.37; (4)ACD/LogD (pH 7.4): 9.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2993085; (8)ACD/KOC (pH 7.4): 2993085; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 17; (11)Index of Refraction: 1.445; (12)Molar Refractivity: 101.03 cm³; (13)Molar Volume: 379.4 cm³; (14)Surface Tension: 29.8 dyne/cm; (15)Density: 0.86 g/cm³; (16)Flash Point: 183.6 °C; (17)Enthalpy of Vaporization: 60.65 kJ/mol; (18)Boiling Point: 360.7 °C at 760 mmHg; (19)Vapour Pressure: 2.18E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C
(2)InChI: InChI=1S/C21H42O2/c1-19(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-21(22)23-20(3)4/h19-20H,5-18H2,1-4H3
(3)InChIKey: NEOZOXKVMDBOSG-UHFFFAOYSA-N

Product Name

isopropyl 16-methylheptadecanoate

Heptadecanoic acid,16-methyl-, 1-methylethyl ester Specification

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