Introduction：Basic information about CAS 106-27-4|Isoamyl N-butyrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isoamyl N-butyrate |
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| CAS Number | 106-27-4 | Molecular Weight | 158.238 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 176.5±8.0 °C at 760 mmHg |
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| Molecular Formula | C9H18O2 | Melting Point | -73 °C |
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| MSDS | ChineseUSA | Flash Point | 57.8±0.0 °C |
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| Symbol |
GHS02, GHS07 | Signal Word | Warning |
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Names
| Name | isoamyl butyrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 176.5±8.0 °C at 760 mmHg |
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| Melting Point | -73 °C |
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| Molecular Formula | C9H18O2 |
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| Molecular Weight | 158.238 |
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| Flash Point | 57.8±0.0 °C |
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| Exact Mass | 158.130676 |
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| PSA | 26.30000 |
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| LogP | 3.18 |
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| Vapour density | 5.45 (vs air) |
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| Vapour Pressure | 1.1±0.3 mmHg at 25°C |
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| Index of Refraction | 1.417 |
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| InChIKey | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
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| SMILES | CCCC(=O)OCCC(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ET5034000
- CHEMICAL NAME :
- Butyric acid, isopentyl ester
- CAS REGISTRY NUMBER :
- 106-27-4
- BEILSTEIN REFERENCE NO. :
- 1702557
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H18-O2
- MOLECULAR WEIGHT :
- 158.27
- WISWESSER LINE NOTATION :
- 3VO2Y1&1
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: 17,823,1979 ** 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: 17,823,1979
- 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: 17,823,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1566 No. of Facilities: 41 (estimated) No. of Industries: 3 No. of Occupations: 29 No. of Employees: 4389 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1566 No. of Facilities: 923 (estimated) No. of Industries: 4 No. of Occupations: 13 No. of Employees: 12334 (estimated) No. of Female Employees: 5090 (estimated)
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Safety Information
| Symbol |
GHS02, GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H226-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:Irritating to eyes, respiratory system and skin . |
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| Safety Phrases | S26-S36/37/39-S24/25 |
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| RIDADR | UN 3272 3/PG 3 |
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| WGK Germany | 1 |
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| RTECS | ET5034000 |
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| Packaging Group | III |
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| Hazard Class | 3 |
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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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Articles1
More Articles
| Mosciano, G. Perfum. Flavor. 2nd ed., 24 , 50, (1999)
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Synonyms
| Butyric Acid Isoamyl Ester |
| Butanoic acid, 3-methylbutyl ester |
| IsoaMyl Butyrate |
| EINECS 203-380-8 |
| 3-methylbutyl butanoate |
| Isoamyl N-butyrate |
| isopentyl butyrate |
| 3-Methylbutylbutanoat |
| MFCD00044888 |
| 3-Methylbutyl butyrate |
