Introduction：Basic information about CAS 1620-98-0|3,5-di-tert-butyl-4-hydroxybenzaldehyde, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-di-tert-butyl-4-hydroxybenzaldehyde |
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| CAS Number | 1620-98-0 | Molecular Weight | 234.334 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 289.2±35.0 °C at 760 mmHg |
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| Molecular Formula | C15H22O2 | Melting Point | 186-190 °C |
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| MSDS | USA | Flash Point | 121.6±18.5 °C |
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Names
| Name | 3,5-Di-tert-butyl-4-hydroxybenzaldehyde |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 289.2±35.0 °C at 760 mmHg |
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| Melting Point | 186-190 °C |
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| Molecular Formula | C15H22O2 |
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| Molecular Weight | 234.334 |
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| Flash Point | 121.6±18.5 °C |
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| Exact Mass | 234.161987 |
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| PSA | 37.30000 |
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| LogP | 4.77 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.528 |
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| InChIKey | DOZRDZLFLOODMB-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CU5610070
- CHEMICAL NAME :
- Benzaldehyde, 3,5-di-tert-butyl-4-hydroxy-
- CAS REGISTRY NUMBER :
- 1620-98-0
- BEILSTEIN REFERENCE NO. :
- 0982526
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C15-H22-O2
- MOLECULAR WEIGHT :
- 234.37
- WISWESSER LINE NOTATION :
- 1X1&1&R BQ EVH CX1&1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 20327 mg/kg/3W-C
- TOXIC EFFECTS :
- Blood - change in clotting factors
MUTATION DATA - TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 25 umol/L
- REFERENCE :
- BBRCA9 Biochemical and Biophysical Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 80,963,1978
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Safety Information
| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S24/25 |
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| RTECS | CU5610070 |
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Synonyms
| 3,5-di-tert-butyl-4-hydroxybenzaldehyde |
| 3,5-ditert-butyl-4-hydroxybenzaldehyde |
| EINECS 216-592-0 |
| MFCD00008826 |
| Benzaldehyde, 3,5-bis(1,1-dimethylethyl)-4-hydroxy- |
| 3,5-Di-tert-butyl-4-hydroxybenzolcarbaldehyd |
| 4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzaldehyde |
| 3,5-Ditert-butyl-4-hydroxy-benzaldehyde |
