Introduction：Basic information about CAS 1445-23-4|2-tert-butyl-4,5-dimethylphenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-tert-butyl-4,5-dimethylphenol |
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| CAS Number | 1445-23-4 | Molecular Weight | 178.27100 |
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| Density | 0.952g/cm3 | Boiling Point | 257.7ºC at 760mmHg |
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| Molecular Formula | C12H18O | Melting Point | / |
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| MSDS | / | Flash Point | 115.7ºC |
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Names
| Name | 2-tert-butyl-4,5-dimethylphenol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.952g/cm3 |
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| Boiling Point | 257.7ºC at 760mmHg |
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| Molecular Formula | C12H18O |
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| Molecular Weight | 178.27100 |
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| Flash Point | 115.7ºC |
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| Exact Mass | 178.13600 |
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| PSA | 20.23000 |
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| LogP | 3.30650 |
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| Vapour Pressure | 0.0089mmHg at 25°C |
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| Index of Refraction | 1.512 |
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| InChIKey | GDGFDAKCWRGGHW-UHFFFAOYSA-N |
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| SMILES | Cc1cc(O)c(C(C)(C)C)cc1C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ZE6830000
- CHEMICAL NAME :
- 3,4-Xylenol, 6-tert-butyl-
- CAS REGISTRY NUMBER :
- 1445-23-4
- BEILSTEIN REFERENCE NO. :
- 2327366
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C12-H18-O
- MOLECULAR WEIGHT :
- 178.30
- WISWESSER LINE NOTATION :
- QR C1 D1 FX1&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1030 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 710 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. (Pittsburgh, PA) 1947-69. Volume(issue)/page/year: 6,1,1967
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Safety Information
Customs
| HS Code | 2907199090 |
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| Summary | 2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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Synonyms
| 5-Hydroxy-1.2-dimethyl-4-tert.-butyl-benzol |
| 3,4-Dimethyl-6-tert-Butylphenol |
| 3,4-Xylenol,6-tert-butyl |
| 6-tert-Butyl-3,4-xylenol |
| EINECS 215-891-3 |
| 2-tert-Butyl-4,5-dimethyl-phenol |
| 2-(1,1-dimethylethyl)-4,5-dimethyl-phenol |
| 2-tert-Butyl-4,5-xylenol |
