Introduction：Basic information about CAS 589-59-3|Isobutyl isovalerate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isobutyl isovalerate |
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| CAS Number | 589-59-3 | Molecular Weight | 158.238 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 171.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C9H18O2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 50.5±5.4 °C |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | Isobutyl Isovalerate |
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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 | 171.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C9H18O2 |
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| Molecular Weight | 158.238 |
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| Flash Point | 50.5±5.4 °C |
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| Exact Mass | 158.130676 |
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| PSA | 26.30000 |
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| LogP | 3.00 |
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| Vapour Pressure | 1.4±0.3 mmHg at 25°C |
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| Index of Refraction | 1.415 |
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| InChIKey | KEBDNKNVCHQIJU-UHFFFAOYSA-N |
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| SMILES | CC(C)COC(=O)CC(C)C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1506000
- CHEMICAL NAME :
- Isovaleric acid, isobutyl ester
- CAS REGISTRY NUMBER :
- 589-59-3
- BEILSTEIN REFERENCE NO. :
- 1702649
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H18-O2
- MOLECULAR WEIGHT :
- 158.27
- WISWESSER LINE NOTATION :
- 1Y1&1VO1Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982 ** 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 :
- FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,725,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 7755 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
- 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: 20,725,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9651 No. of Facilities: 11 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 193 (estimated) No. of Female Employees: 11 (estimated)
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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:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26 |
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| RIDADR | NONH for all modes of transport |
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| WGK Germany | 2 |
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| RTECS | NY1506000 |
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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
| 2-Methylpropyl isovalerate |
| Isobutyl 3-methylpropanoate |
| Isovaleric acid, isobutyl ester |
| UNII-6VCJ0UB168 |
| Butanoic acid, 3-methyl-, 2-methylpropyl ester |
| EINECS 209-653-8 |
| 2-Methylpropyl 3-methylbutyrate |
| Isobutyl 3-methylbutanoate |
| 2-Methylpropyl 3-methylbutyrate Isobutyl 3-methyl butyrate |
| 2-methylpropyl 3-methylbutanoate |
| MFCD00048349 |
| Isobutyl isopentanoate |
