-
Name
Isopropyl isostearate
- EINECS 269-023-3
- CAS No. 68171-33-5
- Density 0.86 g/cm3
- Solubility
- Melting Point 18.45°C (estimate)
- Formula C21H42O2
- Boiling Point 360.7 °Cat760mmHg
- Molecular Weight 326.63
- Flash Point 183.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Isostearic acid, isopropyl ester;1-Methylethyl isooctadecanoate;Isooctadecanoic acid,1-methylethyl ester;Nikkol IPIS;2-Propyl isooctadecanoate;Prisorine IPIS 2021;propan-2-yl 16-methylheptadecanoate;Unimate IPIS;Isooctadecanoic acid, 1-methylethyl ester;Wickenol 131;HEPTADECANOIC ACID, 16-METHYL-, ISOPROPYL ESTER;
- PSA 26.30000
- LogP 7.05540
Isopropyl isostearate Chemical Properties
Molecular Structure of Isopropyl isostearate (CAS NO. 68171-33-5):
EINECS: 269-023-3
IUPAC Name: Propan-2-yl 16-methylheptadecanoate
Molecular Formula: C21H42O2
Molecular Weight: 326.556980 g/mol
XLogP3-AA: 9
H-Bond Acceptor: 2
Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C
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
InChIKey: NEOZOXKVMDBOSG-UHFFFAOYSA-N
Index of Refraction: 1.445
Molar Refractivity: 101.03 cm3
Molar Volume: 379.4 cm3
Surface Tension: 29.8 dyne/cm
Density: 0.86 g/cm3
Flash Point: 183.6 °C
Enthalpy of Vaporization: 60.65 kJ/mol
Boiling Point: 360.7 °C at 760 mmHg
Vapour Pressure: 2.18E-05 mmHg at 25 °C
Water Solubility of Isopropyl isostearate (CAS NO. 68171-33-5): 0.000155 mg/L at 25 °C
Isopropyl isostearate Toxicity Data With Reference
| 1. | eye-rbt 50 mg MLD | JACTDZ Journal of the American College of Toxicology. 11 (1992),43. |
Isopropyl isostearate Consensus Reports
Reported in EPA TSCA Inventory.
Isopropyl isostearate Safety Profile
An eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
Isopropyl isostearate Specification
Isopropyl isostearate with cas registry number of 68171-33-5 is also known as 1-Methylethyl isooctadecanoate ; 2-Propyl isooctadecanoate ; Isostearic acid, isopropyl ester ; Nikkol IPIS ; Wickenol 131 ; Isooctadecanoic acid, 1-methylethyl ester .
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