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Substance Name: n-Amyl butyrate
RN: 540-18-1
UNII: 3Q2JP0VD8J
InChIKey: CFNJLPHOBMVMNS-UHFFFAOYSA-N
Molecular Formula
- C9-H18-O2
Molecular Weight
- 158.239
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- n-Amyl butyrate
Synonyms
- 1-Pentyl butyrate
- 4-02-00-00790 (Beilstein Handbook Reference)
- AI3-06124
- Amyl butanoate
- Amyl butyrate
- Amyl butyrate (natural)
- BRN 1752307
- Butanoic acid, pentyl ester
- Butyric acid, pentyl ester
- EINECS 208-739-2
- FEMA No. 2059
- n-Amyl butyrate
- n-Pentyl butanoate
- n-Pentyl butyrate
- n-Pentyl n-butyrate
- NSC 7935
- Pentyl butanoate
- Pentyl butyrate
- UNII-3Q2JP0VD8J
Systematic Names
- Butanoic acid, pentyl ester
- Butyric acid, pentyl ester
- Pentyl butyrate
Superlist Name
- Amyl butyrate
Registry Numbers
CAS Registry Number
- 540-18-1
FDA UNII
- 3Q2JP0VD8J
System Generated Number
- 0000540181
Structure Descriptors
InChI
InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3InChIKey
CFNJLPHOBMVMNS-UHFFFAOYSA-NSmiles
CCCCCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 11950mg/kg (11950mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
| rat | LD50 | oral | 12210mg/kg (12210mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -7.32E+01 | deg C | EXP | |
| Boiling Point | 186.4 | deg C | EXP | |
| log P (octanol-water) | 3.320 | (none) | EST | |
| Water Solubility | 60 | mg/L | 20 | EXP |
| Vapor Pressure | 0.569 | mm Hg | 25 | EST |
| Henry's Law Constant | 9.60E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.65E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.