Introduction：Basic information about CAS 2998-04-1|diallyl adipate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | diallyl adipate |
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| CAS Number | 2998-04-1 | Molecular Weight | 226.26900 |
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| Density | 1,02 g/cm3 | Boiling Point | 125-126°C 3mm |
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| Molecular Formula | C12H18O4 | Melting Point | / |
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| MSDS | / | Flash Point | 133.8ºC |
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Names
| Name | bis(prop-2-enyl) hexanedioate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1,02 g/cm3 |
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| Boiling Point | 125-126°C 3mm |
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| Molecular Formula | C12H18O4 |
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| Molecular Weight | 226.26900 |
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| Flash Point | 133.8ºC |
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| Exact Mass | 226.12100 |
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| PSA | 52.60000 |
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| LogP | 2.00520 |
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| Vapour Pressure | 0.00234mmHg at 25°C |
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| Index of Refraction | 1.454 |
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| InChIKey | FPODCVUTIPDRTE-UHFFFAOYSA-N |
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| SMILES | C=CCOC(=O)CCCCC(=O)OCC=C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AV0350000
- CHEMICAL NAME :
- Adipic acid, diallyl ester
- CAS REGISTRY NUMBER :
- 2998-04-1
- BEILSTEIN REFERENCE NO. :
- 1790571
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C12-H18-O4
- MOLECULAR WEIGHT :
- 226.30
- WISWESSER LINE NOTATION :
- 1U2OV4VO2U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 420 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,3,1961
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,3,1961
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,3,1961
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Safety Information
| Risk Phrases | R21/22 |
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| Safety Phrases | S36 |
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| RIDADR | 2810 |
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| RTECS | AV0350000 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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| HS Code | 2917120090 |
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Customs
| HS Code | 2917120090 |
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| Summary | 2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| diallyl adipate |
| Diallylester kyseliny adipove [Czech] |
| Adipinsaeure-diallylester |
| MFCD00039826 |
| Adipic Acid Diallyl Ester |
| Allyl adipate |
| EINECS 221-071-6 |
| adipinic acid diallyl ester |
| Hexanedioic acid,di-2-propenyl ester |
