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1341-38-4

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Basic Information
CAS No.: 1341-38-4
Name: Isooctyl palmitate
Molecular Structure:
Molecular Structure of 1341-38-4 (Isooctyl palmitate)
Formula: C24H48O2
Molecular Weight: 368.64
Synonyms: Palmiticacid, isooctyl ester (8CI);Hexadecanoic acid,isooctyl ester;O 16;
EINECS: 215-675-9
Density: 0.86 g/cm3
Boiling Point: 407.2 °C at 760 mmHg
Flash Point: 203.7 °C
Appearance: colorless to small yellow liquid
Hazard Symbols: Xn
Risk Codes: R22; R63
PSA: 26.30000
LogP: 8.22730
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Chemistry

Molecule structure of Isooctyl palmitate (CAS NO.1341-38-4):

IUPAC Name: 6-Methylheptyl hexadecanoate 
Molecular Weight: 368.63672 g/mol
Molecular Formula: C24H48O2 
Density: 0.86 g/cm3 
Boiling Point: 407.2 °C at 760 mmHg 
Flash Point: 203.7 °C
Index of Refraction: 1.449
Molar Refractivity: 114.97 cm3
Molar Volume: 428.5 cm3
Surface Tension: 30.7 dyne/cm
Enthalpy of Vaporization: 65.9 kJ/mol
Vapour Pressure: 7.7E-07 mmHg at 25 °C
XLogP3-AA: 10.6
H-Bond Acceptor: 2
Rotatable Bond Count: 21
Exact Mass: 368.365431
MonoIsotopic Mass: 368.365431
Topological Polar Surface Area: 26.3
Heavy Atom Count: 26
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C
InChI: InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24(25)26-22-19-16-17-20-23(2)3/h23H,4-22H2,1-3H3
InChIKey: CJSPFDQEYQBDNN-UHFFFAOYSA-N
EINECS: 215-675-9

Uses

 Isooctyl palmitate (CAS NO.1341-38-4) is used as the softener, dispersing agents and lubricating oil additives in cosmetics and shampoo.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,

Specification

 Isooctyl palmitate (CAS NO.1341-38-4) is also named as NSC 6383 ; O-16 ; Palmitic acid, isooctyl ester ; USAF KE-1 ; Hexadecanoic acid isooctyl ester ; Palmitic acid, isooctyl ester (8CI) .