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Substance Name: Behenic acid, methyl ester
RN: 929-77-1
UNII: 04KBO9R771
InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N
Molecular Formula
- C23-H46-O2
Molecular Weight
- 354.614
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Names and Synonyms
Name of Substance
- Behenic acid, methyl ester
Synonyms
- AI3-36456
- Behenic acid, methyl ester
- Docosanoic acid, methyl ester
- EINECS 213-207-8
- HSDB 2724
- Methyl behenate
- Methyl docosanoate
- NSC 158426
- UNII-04KBO9R771
Systematic Names
- Docosanoic acid, methyl ester
- Methyl docosanoate
Superlist Name
- Docosanoic acid, methyl ester
Registry Numbers
CAS Registry Number
- 929-77-1
FDA UNII
- 04KBO9R771
System Generated Number
- 0000929771
Structure Descriptors
InChI
InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3InChIKey
QSQLTHHMFHEFIY-UHFFFAOYSA-NSmiles
CCCCCCCCCCCCCCCCCCCCCC(=O)Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 54 | deg C | EXP | |
| log P (octanol-water) | 10.2 | (none) | EXP | |
| Water Solubility | 1.13E-05 | mg/L | 25 | EST |
| Vapor Pressure | 1.30E-06 | mm Hg | 25 | EST |
| Henry's Law Constant | 0.051 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 2.73E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.