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Substance Name: Methyl n-butyrate
RN: 623-42-7
UNII: CGX598508O
InChIKey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
Classification Code
- Skin / Eye Irritant
Molecular Formula
- C5-H10-O2
Molecular Weight
- 102.132
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Methyl butyrate
- Methyl n-butyrate
Synonyms
- 2-Methyl butyric acid
- 2-Methylbutyric acid
- 4-02-00-00786 (Beilstein Handbook Reference)
- AI3-06009
- BRN 1740743
- Butanoic acid, methyl ester
- Butyric acid, methyl ester
- EINECS 210-792-1
- FEMA No. 2693
- FEMA No. 3693
- HSDB 5721
- Methyl butanoate
- Methyl butyrate
- Methyl butyrate (natural)
- Methyl n-butanoate
- Methyl n-butyrate
- Methyl-n-butyrate
- NSC 9380
- UNII-CGX598508O
Systematic Names
- Butanoic acid, methyl ester
- Butyric acid, methyl ester
- Methyl butyrate
Superlist Names
- Butanoic acid, methyl ester
- Methyl butyrate
- Methyl butyrate [UN1237] [Flammable liquid]
- UN1237
Registry Numbers
CAS Registry Number
- 623-42-7
FDA UNII
- CGX598508O
System Generated Number
- 0000623427
Structure Descriptors
InChI
1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3InChIKey
UUIQMZJEGPQKFD-UHFFFAOYSA-NSmiles
C(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LC50 | inhalation | 20gm/m3 (20000mg/m3) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986. | |
| mouse | LC50 | inhalation | 18gm/m3/2H (18000mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 81, 1982. | |
| rabbit | LD50 | oral | 3380mg/kg (3380mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
| rabbit | LD50 | skin | 3560mg/kg (3560mg/kg) | Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977. | |
| rat | LD50 | oral | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 20, Pg. 741, 1982. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -8.58E+01 | deg C | EXP | |
| Boiling Point | 102.8 | deg C | EXP | |
| log P (octanol-water) | 1.29 | (none) | EXP | |
| Water Solubility | 1.50E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 32.3 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.05E-04 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 3.04E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.