Introduction：Basic information about CAS 2138-48-9|Isopropyl catechol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isopropyl catechol |
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| CAS Number | 2138-48-9 | Molecular Weight | 152.190 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 265.3±20.0 °C at 760 mmHg |
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| Molecular Formula | C9H12O2 | Melting Point | / |
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| MSDS | / | Flash Point | 125.7±16.4 °C |
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Names
| Name | 3-isopropylcatechol |
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| Synonym | More Synonyms |
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Isopropyl catechol BiologicalActivity
| Description | 3-Isopropylcatechol is a catechol produced by Rhodococcus erythropolis BD2[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Kesseler M, et al. Studies on the isopropylbenzene 2,3-dioxygenase and the 3-isopropylcatechol 2,3-dioxygenase genes encoded by the linear plasmid of Rhodococcus erythropolis BD2. Microbiology (Reading). 1996 Nov;142 ( Pt 11):3241-51. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 265.3±20.0 °C at 760 mmHg |
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| Molecular Formula | C9H12O2 |
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| Molecular Weight | 152.190 |
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| Flash Point | 125.7±16.4 °C |
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| Exact Mass | 152.083725 |
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| PSA | 40.46000 |
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| LogP | 2.22 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.562 |
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| InChIKey | XLZHGKDRKSKCAU-UHFFFAOYSA-N |
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| SMILES | CC(C)c1cccc(O)c1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UX1860000
- CHEMICAL NAME :
- Pyrocatechol, 3-isopropyl-
- CAS REGISTRY NUMBER :
- 2138-48-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H12-O2
- MOLECULAR WEIGHT :
- 152.21
- WISWESSER LINE NOTATION :
- QR BQ CY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 32 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07863
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2907299090 |
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Customs
| HS Code | 2907299090 |
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| Summary | 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0% |
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Synonyms
| Isopropyl catechol |
| 3-isopropyl-benzene-1,2-diol |
| EINECS 218-385-0 |
| 1,2-dihydroxy-3-isopropyl benzene |
| 3-propan-2-ylbenzene-1,2-diol |
| 3-Isopropylbenzene-1,2-diol |
| Pyrocatechol,3-isopropyl |
| 1,2-Benzendiol, (1-methylethyl)- |
| 1,2-Benzenediol, 3-(1-methylethyl)- |
| 3-Isopropyl-1,2-benzenediol |
| 3-Isopropylpyrocatechol |
