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Substance Name: n-Butyl propionate
RN: 590-01-2
UNII: 2NXC4AK99E
InChIKey: BTMVHUNTONAYDX-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C7-H14-O2
Molecular Weight
- 130.186
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- n-Butyl propionate
- N-butylpropionate
Synonyms
- 4-02-00-00708 (Beilstein Handbook Reference)
- AI3-24352
- BRN 1700932
- Butyl propanoate
- Butyl propionate
- Butyl propionate (natural)
- EINECS 209-669-5
- FEMA No. 2211
- n-Butyl propanoate
- n-Butyl propionate
- NSC 8449
- Propanoic acid, butyl ester
- Propionic acid, butyl ester
- UNII-2NXC4AK99E
Systematic Names
- Butyl propionate
- Propanoic acid, butyl ester
- Propionic acid, butyl ester
Superlist Names
- Butyl propionate
- Butyl propionate [UN1914] [Flammable liquid]
- n-Butyl propionate
- Propanoic acid, butyl ester
- Propionic acid, butyl ester
- UN1914
Registry Numbers
CAS Registry Number
- 590-01-2
FDA UNII
- 2NXC4AK99E
System Generated Number
- 0000590012
Structure Descriptors
InChI
InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3InChIKey
BTMVHUNTONAYDX-UHFFFAOYSA-NSmiles
CCCCOC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 14gm/kg (14000mg/kg) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 192, 1992. | |
| rat | LD50 | oral | 5gm/kg (5000mg/kg) | Food and Cosmetics Toxicology. Vol. 18, Pg. 661, 1980. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -8.90E+01 | deg C | EXP | |
| Boiling Point | 146.8 | deg C | EXP | |
| log P (octanol-water) | 2.340 | (none) | EST | |
| Water Solubility | 1500 | mg/L | 20 | EXP |
| Vapor Pressure | 4.42 | mm Hg | 25 | EXP |
| Henry's Law Constant | 5.05E-04 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.02E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.