Introduction:Basic information about CAS 78-35-3|Linalyl Isobutyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Linalyl Isobutyrate |
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| CAS Number | 78-35-3 | Molecular Weight | 224.33900 |
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| Density | 0.89g/cm3 | Boiling Point | 261.3ºC at 760 mmHg |
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| Molecular Formula | C14H24O2 | Melting Point | < -20 °C |
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| MSDS | / | Flash Point | 73.3ºC |
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Names
| Name | Linalyl Isobutyrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.89g/cm3 |
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| Boiling Point | 261.3ºC at 760 mmHg |
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| Melting Point | < -20 °C |
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| Molecular Formula | C14H24O2 |
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| Molecular Weight | 224.33900 |
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| Flash Point | 73.3ºC |
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| Exact Mass | 224.17800 |
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| PSA | 26.30000 |
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| LogP | 3.87670 |
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| Index of Refraction | 1.453 |
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| InChIKey | JZIARAQCPRDGAC-UHFFFAOYSA-N |
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| SMILES | C=CC(C)(CCC=C(C)C)OC(=O)C(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NQ4610000
- CHEMICAL NAME :
- Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
- CAS REGISTRY NUMBER :
- 78-35-3
- BEILSTEIN REFERENCE NO. :
- 1726378
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C14-H24-O2
- MOLECULAR WEIGHT :
- 224.38
- WISWESSER LINE NOTATION :
- 1Y1&VOX1&1U1&3UY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >36300 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - hair
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 15100 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - excitement Skin and Appendages - hair
- REFERENCE :
- FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
- 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: 13,835,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6903 No. of Facilities: 1102 (estimated) No. of Industries: 5 No. of Occupations: 9 No. of Employees: 11615 (estimated) No. of Female Employees: 8723 (estimated)
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Safety Information
| Hazard Codes | Xi |
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| Safety Phrases | S26-S37/39 |
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| HS Code | 2915600000 |
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Customs
| HS Code | 2915600000 |
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| Summary | 2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate |