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Substance Name: Allyl butyrate
RN: 2051-78-7
UNII: DH3T4NN0KO
InChIKey: RMZIOVJHUJAAEY-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C7-H12-O2
Molecular Weight
- 128.17
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Allyl butyrate
Synonyms
- 2-Propen-1-yl butanoate
- 2-Propenyl butanoate
- 4-02-00-00793 (Beilstein Handbook Reference)
- AI3-36006
- Allyl butanoate
- Allyl butyrate
- Allylester kyseliny maselne
- Allylester kyseliny maselne [Czech]
- BRN 1751642
- Butanoic acid, 2-propenyl ester
- Butyric acid, allyl ester
- EINECS 218-129-8
- FEMA No. 2021
- NSC 18600
- UNII-DH3T4NN0KO
- Vinyl carbinyl butyrate
Systematic Names
- Allyl butyrate
- Butanoic acid, 2-propen-1-yl ester
- Butanoic acid, 2-propenyl ester
- Butyric acid, allyl ester
Superlist Name
- Allyl butyrate
Registry Numbers
CAS Registry Number
- 2051-78-7
FDA UNII
- DH3T4NN0KO
System Generated Number
- 0002051787
Structure Descriptors
InChI
InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3InChIKey
RMZIOVJHUJAAEY-UHFFFAOYSA-NSmiles
CCCC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 530mg/kg (530mg/kg) | Food and Cosmetics Toxicology. Vol. 15, Pg. 613, 1977. | |
rat | LD50 | oral | 250mg/kg (250mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | -8.00E+01 | deg C | EXP | |
Boiling Point | 142 | deg C | EXP | |
log P (octanol-water) | 2.200 | (none) | EST | |
Atmospheric OH Rate Constant | 2.95E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.