Introduction：Basic information about CAS 1575-72-0|(±)-2-Propyl-4-pentenoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (±)-2-Propyl-4-pentenoic acid |
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| CAS Number | 1575-72-0 | Molecular Weight | 142.19600 |
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| Density | 0.943g/cm3 | Boiling Point | 228.8ºC at 760mmHg |
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| Molecular Formula | C8H14O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 126.2ºC |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | (+/-)-2-Propyl-4-pentenoic Acid |
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| Synonym | More Synonyms |
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(±)-2-Propyl-4-pentenoic acid BiologicalActivity
| Description | (±)-2-Propyl-4-pentenoic acid (4-en-VPA) is a major toxic metabolite of Valproic acid. (±)-2-Propyl-4-pentenoic acid exhibits neuroteratogenicity[1][2]. |
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| Related Catalog | Research Areas >>Others |
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| In Vitro | (±)-2-Propyl-4-pentenoic acid (1 mM; 26 h) induces approximately 50% of dysmorphogenic mouse embryos[2]. |
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| References | [1]. W Tang, et, al. A comparative investigation of 2-propyl-4-pentenoic acid (4-ene VPA) and its alpha-fluorinated analogue: phase II metabolism and pharmacokinetics. Drug Metab Dispos. 1997 Feb;25(2):219-27. [2]. Gofflot F, et, al. In vitro neuroteratogenicity of valproic acid and 4-en-VPA. Neurotoxicol Teratol. Jul-Aug 1995;17(4):425-35. |
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Chemical & Physical Properties
| Density | 0.943g/cm3 |
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| Boiling Point | 228.8ºC at 760mmHg |
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| Molecular Formula | C8H14O2 |
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| Molecular Weight | 142.19600 |
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| Flash Point | 126.2ºC |
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| Exact Mass | 142.09900 |
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| PSA | 37.30000 |
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| LogP | 2.06340 |
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| Vapour Pressure | 0.0257mmHg at 25°C |
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| Index of Refraction | 1.448 |
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| InChIKey | UMYDNZXEHYSVFY-UHFFFAOYSA-N |
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| SMILES | C=CCC(CCC)C(=O)O |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SB3362000
- CHEMICAL NAME :
- 4-Pentenoic acid, 2-propyl-
- CAS REGISTRY NUMBER :
- 1575-72-0
- BEILSTEIN REFERENCE NO. :
- 1704069
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H14-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1160 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 24,427,1985
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity) Behavioral - ataxia
- REFERENCE :
- NEPHBW Neuropharmacology. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.9- 1970- Volume(issue)/page/year: 24,427,1985
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H301 |
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| Precautionary Statements | P301 + P310 |
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| Hazard Codes | T |
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| RIDADR | UN 2810 6.1 / PGIII |
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| RTECS | SB3362000 |
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| HS Code | 2916190090 |
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Customs
| HS Code | 2916190090 |
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| Summary | 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0% |
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Synonyms
| 2-propyl-4-pentenoic acid |
