Introduction：Basic information about CAS 31501-11-8|(3Z)-3-Hexen-1-yl hexanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3Z)-3-Hexen-1-yl hexanoate |
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| CAS Number | 31501-11-8 | Molecular Weight | 198.30 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 256.2±19.0 °C at 760 mmHg |
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| Molecular Formula | C12H22O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 86.7±19.9 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | (Z)-3-hexen-1-yl caproate |
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| Synonym | More Synonyms |
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(3Z)-3-Hexen-1-yl hexanoate BiologicalActivity
| Description | cis-3-Hexenyl Hexanoate is an active compound. cis-3-Hexenyl Hexanoate can be isolated from Feijoa sellowiana[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Shaw, G. J., et al. (1983). Volatile constituents of feijoa—headspace analysis of intact fruit. Journal of the Science of Food and Agriculture, 34(7), 743–747. |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 256.2±19.0 °C at 760 mmHg |
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| Molecular Formula | C12H22O2 |
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| Molecular Weight | 198.30 |
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| Flash Point | 86.7±19.9 °C |
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| Exact Mass | 198.161987 |
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| PSA | 26.30000 |
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| LogP | 4.54 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.444 |
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| InChIKey | RGACQXBDYBCJCY-ALCCZGGFSA-N |
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| SMILES | CCC=CCCOC(=O)CCCCC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MO8380000
- CHEMICAL NAME :
- Hexanoic acid, 3-hexenyl ester, (Z)-
- CAS REGISTRY NUMBER :
- 31501-11-8
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C12-H22-O2
- MOLECULAR WEIGHT :
- 198.34
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: 30,45S,1992
- 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: 30,45S,1992
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H315-H319-H335 |
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| Precautionary Statements | P261-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | MO8380000 |
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| HS Code | 2915900090 |
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Customs
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| Hexanoic acid, (3Z)-3-hexen-1-yl ester |
| 3-hexenylbutyrate |
| Cis-Hex-3-Enyl Hexanoate |
| cis-3-Hexen-1-yl Hexanoate |
| MFCD00036552 |
| Hexanoic Acid cis-3-Hexen-1-yl Ester |
| Leaf butyrate |
| C3 HEXENYL BUTYRATE |
| HEXENYL-CIS-3-BUTYRATE |
| cis-3-hexenyl n-butyrate |
| (3Z)-3-Hexen-1-yl hexanoate |
| cis-3-hexene-1-ol n-butyrate |
| HEX-3-ENYL BUTYRATE |
| EINECS 250-661-6 |
| cis-3-hexenyl butanoate |
| (3Z)-Hex-3-en-1-yl hexanoate |
| cis-3-hexenyl hexanoate |
