Introduction：Basic information about CAS 52210-18-1|alpha-ionyl acetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | alpha-ionyl acetate |
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| CAS Number | 52210-18-1 | Molecular Weight | 236.35000 |
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| Density | 0.925g/cm3 | Boiling Point | 280ºC at 760 mmHg |
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| Molecular Formula | C15H24O2 | Melting Point | / |
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| MSDS | / | Flash Point | 97.5ºC |
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Names
Chemical & Physical Properties
| Density | 0.925g/cm3 |
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| Boiling Point | 280ºC at 760 mmHg |
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| Molecular Formula | C15H24O2 |
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| Molecular Weight | 236.35000 |
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| Flash Point | 97.5ºC |
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| Exact Mass | 236.17800 |
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| PSA | 26.30000 |
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| LogP | 3.87670 |
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| Index of Refraction | 1.464 |
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| InChIKey | WHHAWKIPTSGTNC-UHFFFAOYSA-N |
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| SMILES | CC(=O)OC(C)C=CC1C(C)=CCCC1(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EM9630200
- CHEMICAL NAME :
- 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, acetate
- CAS REGISTRY NUMBER :
- 52210-18-1
- BEILSTEIN REFERENCE NO. :
- 3134520
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C15-H24-O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,363,1988
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,363,1988
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