3-methyl-3-phenyl-butanal
3-methyl-3-phenyl-butanal structure
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Common Name | 3-methyl-3-phenyl-butanal | ||
|---|---|---|---|---|
| CAS Number | 6325-41-3 | Molecular Weight | 162.22800 | |
| Density | 0.954g/cm3 | Boiling Point | 227ºC at 760 mmHg | |
| Molecular Formula | C11H14O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 94.5ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-methyl-3-phenylbutanal |
|---|---|
| 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 | 0.954g/cm3 |
|---|---|
| Boiling Point | 227ºC at 760 mmHg |
| Molecular Formula | C11H14O |
| Molecular Weight | 162.22800 |
| Flash Point | 94.5ºC |
| Exact Mass | 162.10400 |
| PSA | 17.07000 |
| LogP | 2.55320 |
| Index of Refraction | 1.493 |
| InChIKey | COUZAGXGXFTWTH-UHFFFAOYSA-N |
| SMILES | CC(C)(CC=O)c1ccccc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2912299000 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: AXYS PHARMACEUTICALS, INC. Patent: WO2005/28429 A2, 2005 ; Location in patent: Page/Page column 57 ; WO 2005/028429 A2 |
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~6%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: Harada, Nari-Aki; Nishikata, Takashi; Nagashima, Hideo Tetrahedron, 2012 , vol. 68, # 15 p. 3243 - 3252 |
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~76%
3-methyl-3-phen... CAS#:6325-41-3
Learn More
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| Literature: Cahiez, Gerard; Alami, Mouad Tetrahedron Letters, 1989 , vol. 30, # 52 p. 7365 - 7368 |
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~12%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: Matoba, Kazutaka; Motofusa, Shin-Ichi; Sik Cho, Chan; Ohe, Kouichi; Uemura, Sakae Journal of Organometallic Chemistry, 1999 , vol. 574, # 1 p. 3 - 10 |
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~%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: Sumitomo Pharmaceuticals Company Patent: US6369110 B1, 2002 ; Location in patent: Page column 65-66 ; |
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~%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: Harada, Nari-Aki; Nishikata, Takashi; Nagashima, Hideo Tetrahedron, 2012 , vol. 68, # 15 p. 3243 - 3252 |
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~%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: Urry,W.H. et al. Journal of Organic Chemistry, 1964 , vol. 29, # 7 p. 1663 - 1669 |
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~%
3-methyl-3-phen... CAS#:6325-41-3 |
| Literature: Duhamel,L.; Gralak,J. Bulletin de la Societe Chimique de France, 1974 , p. 2124 - 2128 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 3 | |
CAS#:538-93-2
CAS#:1010-48-6
CAS#:67-66-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2912299000 |
|---|---|
| Summary | 2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0% |
This 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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-Methyl-3-phenyl-butyraldehyd |
| 3-methyl-3-phenyl-butanal |
| 3,3-dimethyl-3-phenylpropionaldehyde |
| 3-methyl-3-phenyl-butyraldehyde |
| Cumylacetaldehyde |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 3-methyl-3-phenylbutanal? |
| A: LogP of 3-methyl-3-phenylbutanal is 2.55320. |
| Q: What is the InChIKey of 3-methyl-3-phenylbutanal? |
| A: InChIKey of 3-methyl-3-phenylbutanal is COUZAGXGXFTWTH-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 3-methyl-3-phenylbutanal? |
| A: SMILES notation of 3-methyl-3-phenylbutanal is CC(C)(CC=O)c1ccccc1. |
| Q: What is the English name of 3-methyl-3-phenylbutanal? |
| A: The English name of 3-methyl-3-phenylbutanal is 3-methyl-3-phenylbutanal. |
| Q: What English synonyms does 3-methyl-3-phenylbutanal have? |
| A: English synonyms of 3-methyl-3-phenylbutanal: 3-Methyl-3-phenyl-butyraldehyd, 3-methyl-3-phenyl-butanal, 3,3-dimethyl-3-phenylpropionaldehyde, 3-methyl-3-phenyl-butyraldehyde, Cumylacetaldehyde. |
| Q: What is the molecular weight of 3-methyl-3-phenylbutanal? |
| A: Molecular weight of 3-methyl-3-phenylbutanal is 162.22800. |
| Q: What are the downstream products of 3-methyl-3-phenylbutanal? |
| A: Related downstream products(CAS) of 3-methyl-3-phenylbutanal: 538-93-2;1010-48-6;67-66-3. |
| Q: What is the polar surface area (PSA) of 3-methyl-3-phenylbutanal? |
| A: Polar surface area (PSA) of 3-methyl-3-phenylbutanal is 17.07000. |
| Q: What is the CAS number of 3-methyl-3-phenylbutanal? |
| A: CAS number of 3-methyl-3-phenylbutanal is 6325-41-3. |
| Q: What is the molecular formula of 3-methyl-3-phenylbutanal? |
| A: Molecular formula of 3-methyl-3-phenylbutanal is C11H14O. |
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. |