|
|
|
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
* 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
- 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
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3InChIKey
UUIQMZJEGPQKFD-UHFFFAOYSA-NSmiles
CCCC(=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.