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Substance Name: Pentadecanoic acid
RN: 1002-84-2
UNII: CCW02D961F
InChIKey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
Note
- In serum as a marker for intake of milk fat.
Molecular Formula
- C15-H30-O2
Molecular Weight
- 242.4
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Pentadecanoic acid
Synonyms
- 4-02-00-01147 (Beilstein Handbook Reference)
- AI3-36441
- BRN 1773831
- EINECS 213-693-1
- n-Pentadecanoic acid
- NSC 28486
- Pentadecanoic acid
- Pentadecyclic acid
- Pentadecylic acid
- UNII-CCW02D961F
Systematic Name
- Pentadecanoic acid
Registry Numbers
CAS Registry Number
- 1002-84-2
FDA UNII
- CCW02D961F
System Generated Number
- 0001002842
Structure Descriptors
InChI
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)InChIKey
WQEPLUUGTLDZJY-UHFFFAOYSA-NSmiles
CCCCCCCCCCCCCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 54mg/kg (54mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 52.3 | deg C | EXP | |
| Boiling Point | 339.1 | deg C | EXP | |
| log P (octanol-water) | 6.470 | (none) | EST | |
| Water Solubility | 12 | mg/L | 20 | EXP |
| Henry's Law Constant | 2.18E-05 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 1.82E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.