1,4-Di-tert-butylbenzene
1,4-Di-tert-butylbenzene structure
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Common Name | 1,4-Di-tert-butylbenzene | ||
|---|---|---|---|---|
| CAS Number | 1012-72-2 | Molecular Weight | 190.32400 | |
| Density | 0.985 | Boiling Point | 236 °C(lit.) | |
| Molecular Formula | C14H22 | Melting Point | 76-78 °C(lit.) | |
| MSDS | N/A | Flash Point | 236°C | |
Summary: 1,4-Di-tert-butylbenzene (also known as 1,4-二叔丁基苯), CAS number 1012-72-2, with molecular formula C14H22 and molecular weight 190.32400. A colorless to white crystalline solid, it has a melting point of 76-78°C and a boiling point of 236°C, with a density of 0.985. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,4-Di-tert-butylbenzene |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.985 |
|---|---|
| Boiling Point | 236 °C(lit.) |
| Melting Point | 76-78 °C(lit.) |
| Molecular Formula | C14H22 |
| Molecular Weight | 190.32400 |
| Flash Point | 236°C |
| Exact Mass | 190.17200 |
| LogP | 4.28160 |
| Vapour Pressure | 0.0744mmHg at 25°C |
| Index of Refraction | 1.4871 (20ºC) |
| InChIKey | OOWNNCMFKFBNOF-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1ccc(C(C)(C)C)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | N:Dangerousfortheenvironment; |
|---|---|
| Risk Phrases | R50/53 |
| Safety Phrases | S22-S24/25-S60-S61 |
| RIDADR | UN 3077 9/PG 3 |
| WGK Germany | 3 |
| RTECS | CY8444000 |
| Packaging Group | III |
| Hazard Class | 9 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:115-11-7
CAS#:71-43-2
CAS#:39000-62-9
CAS#:86943-88-6
CAS#:1381982-70-2
CAS#:75-24-1
CAS#:106-37-6
CAS#:677-22-5
CAS#:3972-65-4
CAS#:75-65-0
CAS#:3463-35-2
CAS#:3282-56-2
CAS#:10472-70-5
CAS#:3972-56-3
CAS#:10565-39-6
CAS#:4074-25-3
CAS#:3972-64-3
CAS#:6683-74-5
CAS#:1460-02-2This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| p-di-tert-butyl-benzen |
| Benzene,p-di-tert-butyl |
| p-di-tert-butylbenzene |
| 1,4-Di-t-butylbenzene |
| Dibutylbenzene |
| benzene,1,4-di-tert-butyl |
| 1,4-DitertCbutylbenzene |
| 1,4-Di-tert-Butylbenzol |
| EINECS 213-790-9 |
| MFCD00008836 |
| p-di-(t-butyl)benzene |
| p-Bis(tert-butyl)benzene |
| 1,4-di(tert-butyl)benzene |
| 1,4-tert-dibutylbenzene |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 1,4-Di-tert-butylbenzene? |
| A: LogP of 1,4-Di-tert-butylbenzene is 4.28160. |
| Q: What English synonyms does 1,4-Di-tert-butylbenzene have? |
| A: English synonyms of 1,4-Di-tert-butylbenzene: p-di-tert-butyl-benzen, Benzene,p-di-tert-butyl, p-di-tert-butylbenzene, 1,4-Di-t-butylbenzene, Dibutylbenzene, benzene,1,4-di-tert-butyl, 1,4-DitertCbutylbenzene, 1,4-Di-tert-Butylbenzol, EINECS 213-790-9, MFCD00008836, p-di-(t-butyl)benzene, p-Bis(tert-butyl)benzene, 1,4-di(tert-butyl)benzene, 1,4-tert-dibutylbenzene. |
| Q: What is the safety information for 1,4-Di-tert-butylbenzene? |
| A: Safety information for 1,4-Di-tert-butylbenzene: S22-S24/25-S60-S61. |
| Q: What is the English name of 1,4-Di-tert-butylbenzene? |
| A: The English name of 1,4-Di-tert-butylbenzene is 1,4-Di-tert-butylbenzene. |
| Q: What are the downstream products of 1,4-Di-tert-butylbenzene? |
| A: Related downstream products(CAS) of 1,4-Di-tert-butylbenzene: 3463-35-2;3282-56-2;10472-70-5;3972-56-3;10565-39-6;3972-65-4;4074-25-3;3972-64-3;6683-74-5;1460-02-2. |
| Q: What is the SMILES notation of 1,4-Di-tert-butylbenzene? |
| A: SMILES notation of 1,4-Di-tert-butylbenzene is CC(C)(C)c1ccc(C(C)(C)C)cc1. |
| Q: What is the CAS number of 1,4-Di-tert-butylbenzene? |
| A: CAS number of 1,4-Di-tert-butylbenzene is 1012-72-2. |
| Q: What is the molecular weight of 1,4-Di-tert-butylbenzene? |
| A: Molecular weight of 1,4-Di-tert-butylbenzene is 190.32400. |
| Q: What is the melting point of 1,4-Di-tert-butylbenzene? |
| A: Melting point of 1,4-Di-tert-butylbenzene is 76-78 °C(lit.). |
| Q: What is the boiling point of 1,4-Di-tert-butylbenzene? |
| A: Boiling point of 1,4-Di-tert-butylbenzene is 236 °C(lit.). |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |