|
|
|
Substance Name: Propyl butyrate
RN: 105-66-8
UNII: CW590750SQ
InChIKey: HUAZGNHGCJGYNP-UHFFFAOYSA-N
Molecular Formula
- C7-H14-O2
Molecular Weight
- 130.1856
- 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
- Propyl butyrate
Synonyms
- 1-Propyl butyrate
- 4-02-00-00788 (Beilstein Handbook Reference)
- AI3-06123
- BRN 1745552
- Butanoic acid, propyl ester
- Butyric acid, propyl ester
- EINECS 203-320-0
- FEMA No. 2934
- Propyl butanoate
- Propyl butyrate
- Propyl butyrate (natural)
- Propylester kyseliny maselne
- Propylester kyseliny maselne [Czech]
- UNII-CW590750SQ
Systematic Names
- Butanoic acid, propyl ester
- Butyric acid, propyl ester
- Propyl butyrate
Superlist Names
- Butanoic acid, propyl ester
- Propyl butyrate
- Propyl n-butyrate
Registry Numbers
CAS Registry Number
- 105-66-8
FDA UNII
- CW590750SQ
System Generated Number
- 0000105668
Structure Descriptors
InChI
InChI=1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3InChIKey
HUAZGNHGCJGYNP-UHFFFAOYSA-NSmiles
CCCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | oral | 5729mg/kg (5729mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| rat | LD50 | oral | 15gm/kg (15000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -9.52E+01 | deg C | EXP | |
| Boiling Point | 143 | deg C | EXP | |
| log P (octanol-water) | 2.340 | (none) | EST | |
| Water Solubility | 1620 | mg/L | 17 | EXP |
| Vapor Pressure | 5.95 | mm Hg | 25 | EXP |
| Henry's Law Constant | 6.36E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 7.41E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.