|
|
|
Substance Name: Butyric acid
RN: 107-92-6
UNII: 40UIR9Q29H
InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N
Note
- A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.
Molecular Formula
- C4-H8-O2
Molecular Weight
- 88.1052
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Histamine Agents
- Histamine Antagonists
- Mutation Data
- Neurotransmitter Agents
- Skin / Eye Irritant
Superlist Classification Code
- Reportable Quantity (RQ) = 5000 lb
* 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
- Butyric acid
MeSH Heading
- Butyric acid
Synonyms
- 1-Butyric acid
- 1-Propanecarboxylic acid
- 4-02-00-00779 (Beilstein Handbook Reference)
- AI3-15306
- BRN 0906770
- Butanic acid
- Butanoic acid
- Buttersaeure
- Buttersaeure [German]
- Butyrate
- Butyric acid
- Butyric acid (natural)
- CCRIS 6552
- EC 203-532-3
- EINECS 203-532-3
- Ethylacetic acid
- FEMA No. 2221
- FEMA Number 2221
- HSDB 940
- Kyselina maselna
- Kyselina maselna [Czech]
- n-Butanoic acid
- n-Butyric acid
- NSC 8415
- Propylformic acid
- UNII-40UIR9Q29H
Systematic Names
- Butanoic acid
- Butyric acid
Superlist Names
- Butanoic acid
- Butyric acid
- Butyric acid [UN2820] [Corrosive]
- UN2820
Registry Numbers
CAS Registry Number
- 107-92-6
FDA UNII
- 40UIR9Q29H
System Generated Number
- 0000107926
Structure Descriptors
InChI
1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)InChIKey
FERIUCNNQQJTOY-UHFFFAOYSA-NSmiles
C(C(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC | inhalation | > 500mg/m3 (500mg/m3) | LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 23(5), Pg. 31, 1958. |
| mouse | LD50 | intraperitoneal | 3180mg/kg (3180mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. | |
| mouse | LD50 | intravenous | 800mg/kg (800mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
| mouse | LD50 | subcutaneous | 3180mg/kg (3180mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. | |
| mouse | LDLo | oral | 500mg/kg (500mg/kg) | KIDNEY, URETER, AND BLADDER: OTHER CHANGES GASTROINTESTINAL: NECROTIC GHANGES BLOOD: CHANGES IN SPLEEN | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 19, 1962. |
| rabbit | LD50 | skin | 530uL/kg (0.53mL/kg) | Union Carbide Data Sheet. Vol. 4/10/1968, | |
| rat | LC | inhalation | > 500mg/m3 (500mg/m3) | LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 19, 1962. |
| rat | LD50 | oral | 2gm/kg (2000mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -5.70E+00 | deg C | EXP | |
| Boiling Point | 163.7 | deg C | EXP | |
| pKa Dissociation Constant | 4.82 | (none) | 25 | EXP |
| log P (octanol-water) | 0.79 | (none) | EXP | |
| Water Solubility | 6.00E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 1.65 | mm Hg | 25 | EXP |
| Henry's Law Constant | 5.35E-07 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 2.40E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.