Introduction：Basic information about CAS 42436-07-7|(3Z)-3-Hexen-1-yl phenylacetate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3Z)-3-Hexen-1-yl phenylacetate |
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| CAS Number | 42436-07-7 | Molecular Weight | 218.292 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 309.6±21.0 °C at 760 mmHg |
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| Molecular Formula | C14H18O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 119.5±20.4 °C |
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Names
| Name | cis-3-Hexenyl phenylacetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 309.6±21.0 °C at 760 mmHg |
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| Molecular Formula | C14H18O2 |
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| Molecular Weight | 218.292 |
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| Flash Point | 119.5±20.4 °C |
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| Exact Mass | 218.130676 |
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| PSA | 26.30000 |
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| LogP | 4.20 |
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| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
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| Index of Refraction | 1.511 |
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| InChIKey | FJKFIIYSBXHBCT-UHFFFAOYSA-N |
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| SMILES | CCC=CCCOC(=O)Cc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CY1630000
- CHEMICAL NAME :
- Benzeneacetic acid, 3-hexenyl ester, (Z)-
- CAS REGISTRY NUMBER :
- 42436-07-7
- BEILSTEIN REFERENCE NO. :
- 3266406
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C14-H18-O2
- MOLECULAR WEIGHT :
- 218.32
- WISWESSER LINE NOTATION :
- 3U3OV1R
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,803,1979 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- 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 :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,803,1979
- 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 :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,803,1979
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Safety Information
| Personal Protective Equipment | Eyeshields;Gloves |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | CY1630000 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| EINECS 255-826-6 |
| Benzeneacetic acid, (3Z)-3-hexen-1-yl ester |
| (3Z)-3-Hexen-1-yl phenylacetate |
| hex-3-enyl 2-phenylacetate |
| cis-3-Hexen-1-yl Phenylacetate |
| (3Z)-Hex-3-en-1-yl phenylacetate |
| MFCD00036531 |
| Phenylacetic Acid cis-3-Hexen-1-yl Ester |
