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Substance Name: Pentanoic acid
RN: 109-52-4
UNII: GZK92PJM7B
InChIKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Classification Code
- Reproductive Effect
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
- n-Pentanoic acid
- Pentanoic acid
- Valeric acid, normal
Synonyms
- 1-Butanecarboxylic acid
- 4-02-00-00868 (Beilstein Handbook Reference)
- AI3-08657
- BRN 0969454
- Butanecarboxylic acid
- EC 203-677-2
- EINECS 203-677-2
- FEMA No. 3101
- HSDB 5390
- Kyselina valerova
- Kyselina valerova [Czech]
- n-Pentanoic acid
- n-Valeric acid
- NSC 406833
- Pentanoic acid
- Propylacetic acid
- UNII-GZK92PJM7B
- Valerianic acid
- Valeric acid
- VALERIC ACID, N-
Systematic Names
- Pentanoic acid
- Valeric acid
Superlist Names
- n-Valeric acid
- Pentanoic acid
- Valeric acid
Registry Numbers
CAS Registry Number
- 109-52-4
FDA UNII
- GZK92PJM7B
Other Registry Number
- 12124-87-7
Related Registry Numbers
- 19455-21-1 (potassium salt)
- 42739-38-8 (ammonium salt)
- 556-38-7 (zinc salt)
- 6106-41-8 (hydrochloride salt)
- 70268-41-6 (manganese(+2) salt)
System Generated Number
- 0000109524
Structure Descriptors
InChI
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)InChIKey
NQPDZGIKBAWPEJ-UHFFFAOYSA-NSmiles
CCCCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 4100mg/m3/2H (4100mg/m3) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982. | |
| mouse | LD50 | intraperitoneal | 3590mg/kg (3590mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. | |
| mouse | LD50 | intravenous | 1290mg/kg (1290mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961. |
| mouse | LD50 | oral | 600mg/kg (600mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 119, 1982. | |
| mouse | LD50 | subcutaneous | 3590mg/kg (3590mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.40E+01 | deg C | EXP | |
| Boiling Point | 186.1 | deg C | EXP | |
| pKa Dissociation Constant | 4.84 | (none) | 25 | EXP |
| log P (octanol-water) | 1.39 | (none) | EXP | |
| Water Solubility | 2.40E+04 | mg/L | 25 | EXP |
| Vapor Pressure | 0.196 | mm Hg | 25 | EXP |
| Henry's Law Constant | 4.72E-07 | atm-m3/mole | 25 | EXP |
| Atmospheric OH Rate Constant | 4.11E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.