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Substance Name: Isopropyl stearate
RN: 112-10-7
UNII: 43253ZW1MZ
InChIKey: ZPWFUIUNWDIYCJ-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C21-H42-O2
Molecular Weight
- 326.561
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 1-Methylethyl octadecanoate
- Isopropyl stearate
- Octadecanoic acid, 1-methylethyl ester
Synonyms
- 1-Methylethyl octadecanoate
- 4-02-00-01219 (Beilstein Handbook Reference)
- BRN 1791443
- EINECS 203-934-9
- Isopropyl stearate
- UNII-43253ZW1MZ
- Wickenol 127
Systematic Names
- Isopropyl stearate
- Octadecanoic acid, 1-methylethyl ester
- Stearic acid, isopropyl ester
Superlist Name
- Isopropyl stearate
Registry Numbers
CAS Registry Number
- 112-10-7
FDA UNII
- 43253ZW1MZ
System Generated Number
- 0000112107
Structure Descriptors
InChI
1S/C21H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h20H,4-19H2,1-3H3InChIKey
ZPWFUIUNWDIYCJ-UHFFFAOYSA-NSmiles
C(CCCCCCCCCCCCCC)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 8gm/kg (8000mg/kg) | Journal of the American College of Toxicology. Vol. 4(5), Pg. 107, 1985. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 28 | deg C | EXP | |
log P (octanol-water) | 9.140 | (none) | EST | |
Water Solubility | 1.34E-04 | mg/L | 25 | EST |
Henry's Law Constant | 0.029 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.49E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.