Introduction:Basic information about CAS 645-62-5|2-Ethyl-2-hexenal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Ethyl-2-hexenal |
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| CAS Number | 645-62-5 | Molecular Weight | 126.19600 |
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| Density | 0.85 g/cm3 | Boiling Point | 175ºC |
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| Molecular Formula | C8H14O | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 68ºC |
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Names
| Name | 2-Hexenal, 2-ethyl |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.85 g/cm3 |
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| Boiling Point | 175ºC |
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| Molecular Formula | C8H14O |
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| Molecular Weight | 126.19600 |
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| Flash Point | 68ºC |
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| Exact Mass | 126.10400 |
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| PSA | 17.07000 |
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| LogP | 2.32180 |
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| Index of Refraction | 1.431 |
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| InChIKey | PYLMCYQHBRSDND-SOFGYWHQSA-N |
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| SMILES | CCCC=C(C=O)CC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MP6300000
- CHEMICAL NAME :
- 2-Hexenal, 2-ethyl-
- CAS REGISTRY NUMBER :
- 645-62-5
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C8-H14-O
- MOLECULAR WEIGHT :
- 126.22
- WISWESSER LINE NOTATION :
- VHY2&U4
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,269,1944
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 26,269,1944
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >20 mL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,699,1969 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 3 mg/m3 JAN 1993
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Safety Information
| Risk Phrases | 36/37/38 |
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| Safety Phrases | S26;S36/S37/S39 |
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| RIDADR | UN 1760 |
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| Hazard Class | 3.2 |
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| HS Code | 2912190090 |
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Customs
| HS Code | 2912190090 |
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| Summary | 2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| 2-Aethyl-hex-2-enal |
| 2-Hexenal,2-ethyl |
| 2-ethyl-2-hexena |
| 2-ethylhex-2-enal |
| 2-ethyl-2-hexenaldehyde |
| 2-ethyl-2-hexanal |
| 2-Aethyl-3-propyl-acrolein |
| 3-Formylhept-3-ene |
| 2-Ethylhexenal |
| CKB1364 |
| EINECS 211-448-3 |
| MFCD00006983 |