|
|
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
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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.