Introduction：Basic information about CAS 3508-94-9|2-Isopropyl-2-phenylacetic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Isopropyl-2-phenylacetic acid |
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| CAS Number | 3508-94-9 | Molecular Weight | 178.22800 |
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| Density | 1.063g/cm3 | Boiling Point | 282ºC at 760mmHg |
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| Molecular Formula | C11H14O2 | Melting Point | 59-61°C |
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| MSDS | / | Flash Point | 179.2ºC |
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Names
| Name | 2-Isopropyl-2-phenylacetic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.063g/cm3 |
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| Boiling Point | 282ºC at 760mmHg |
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| Melting Point | 59-61°C |
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| Molecular Formula | C11H14O2 |
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| Molecular Weight | 178.22800 |
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| Flash Point | 179.2ºC |
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| Exact Mass | 178.09900 |
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| PSA | 37.30000 |
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| LogP | 2.51080 |
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| InChIKey | HDLQGISFYDYWFJ-UHFFFAOYSA-N |
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| SMILES | CC(C)C(C(=O)O)c1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ET5750060
- CHEMICAL NAME :
- Butyric acid, 3-methyl-2-phenyl-
- CAS REGISTRY NUMBER :
- 3508-94-9
- BEILSTEIN REFERENCE NO. :
- 2045915
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H14-O2
- MOLECULAR WEIGHT :
- 178.25
- WISWESSER LINE NOTATION :
- QVYR&Y1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1193 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 16,23,1961
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Safety Information
| Hazard Codes | Xi |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RTECS | ET5750060 |
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| HS Code | 2916399090 |
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Customs
| HS Code | 2916399090 |
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| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| (+)-3-METHYL-2-PHENYLBUTYRIC ACID |
| 1-Isopropyl-1-phenyl acetic acid |
| 2-ISOPROPYL-2-PHENYLACETIC ACID |
| Alpha-Isopropylphenylacetic Acid |
| 2-Phenylisovaleric acid |
| MFCD00021708 |
| isopropylphenylacetic acid |
| 3-methyl-2-phenyl-butyricaci |
| RARECHEM AL BO 0360 |
| 2-phenyl-3-methylbutyric acid |
| 3-Methyl-2-phenylbutyric acid |
| 2-Phenyl-3-methylbutanoic acid |
| 3-methyl-2-phenyl-butyricacid |
