Introduction：Basic information about CAS 5663-96-7|2-octynoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-octynoic acid |
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| CAS Number | 5663-96-7 | Molecular Weight | 140.18000 |
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| Density | 0.961 g/mL at 25 °C(lit.) | Boiling Point | 148-149 °C19 mm Hg(lit.) |
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| Molecular Formula | C8H12O2 | Melting Point | 2-5 °C(lit.) |
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| MSDS | / | Flash Point | 214 °F |
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Names
| Name | 2-octynoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.961 g/mL at 25 °C(lit.) |
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| Boiling Point | 148-149 °C19 mm Hg(lit.) |
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| Melting Point | 2-5 °C(lit.) |
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| Molecular Formula | C8H12O2 |
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| Molecular Weight | 140.18000 |
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| Flash Point | 214 °F |
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| Exact Mass | 140.08400 |
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| PSA | 37.30000 |
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| LogP | 1.65470 |
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| Index of Refraction | n20/D 1.46(lit.) |
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| InChIKey | BQDKCWCMDBMLEH-UHFFFAOYSA-N |
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| SMILES | CCCCCC#CC(=O)O |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- RI2725000
- CHEMICAL NAME :
- 2-Octynoic acid
- CAS REGISTRY NUMBER :
- 5663-96-7
- BEILSTEIN REFERENCE NO. :
- 1751225
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H12-O2
- MOLECULAR WEIGHT :
- 140.20
- WISWESSER LINE NOTATION :
- 5OV1UU1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 18 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05747
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Safety Information
| Hazard Codes | C |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S26-S27-S36/37/39-S45 |
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| RIDADR | UN 3265 8/PG 2 |
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| WGK Germany | 3 |
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| RTECS | RI2725000 |
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| Packaging Group | II |
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| Hazard Class | 8 |
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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
| EINECS 227-121-3 |
| pentylpropiolic acid |
| MFCD00004364 |
| m-Pentyl propiolate |
| oct-2-ynoic acid |
| Propiolic acid,pentyl |
| Propiolic acid,pentyl ester |
| 2-OCTYNOIC ACID |
| Oct-2-insaeure |
| 2-Octyn-1-oic acid |
| oct-2-ynoid acid |
