3-Hydroxy-3-methyl-2-heptanone
3-Hydroxy-3-methyl-2-heptanone structure
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Common Name | 3-Hydroxy-3-methyl-2-heptanone | ||
|---|---|---|---|---|
| CAS Number | 13757-91-0 | Molecular Weight | 144.21100 | |
| Density | 0.928g/cm3 | Boiling Point | 182.1ºC at 760 mmHg | |
| Molecular Formula | C8H16O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 69.1ºC | |
Summary: 3-Hydroxy-3-methylheptan-2-one (Chinese name: 3-羟基-3-甲基庚-2-酮, CAS: 13757-91-0), molecular formula: C8H16O2, molecular weight: 144.21100. Its boiling point is 182.1°C at 760 mmHg, and density is 0.928g/cm³. 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 | 3-hydroxy-3-methylheptan-2-one |
|---|---|
| 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 | 0.928g/cm3 |
|---|---|
| Boiling Point | 182.1ºC at 760 mmHg |
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.21100 |
| Flash Point | 69.1ºC |
| Exact Mass | 144.11500 |
| PSA | 37.30000 |
| LogP | 1.51660 |
| Vapour Pressure | 0.239mmHg at 25°C |
| Index of Refraction | 1.436 |
| InChIKey | LXVANNOZOKMRGM-UHFFFAOYSA-N |
| SMILES | CCCCC(C)(O)C(C)=O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2914400090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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3-Hydroxy-3-met... CAS#:13757-91-0 |
| Literature: Stacy et al. Journal of the American Chemical Society, 1957 , vol. 79, p. 3587,3590 |
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~59%
3-Hydroxy-3-met... CAS#:13757-91-0 |
| Literature: Kyushin, Soichiro; Otani, Shinju; Takahashi, Tomoyuki; Nakadaira, Yasuhiro; Ohashi, Mamoru Chemistry Letters, 1991 , # 5 p. 775 - 778 |
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3-Hydroxy-3-met... CAS#:13757-91-0 |
| Literature: Sabirov, S. S.; Faizilov, I. U.; Isobaev, M. D. Journal of Organic Chemistry USSR (English Translation), 1986 , p. 883 - 887 Zhurnal Organicheskoi Khimii, 1986 , vol. 22, # 5 p. 987 - 992 |
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3-Hydroxy-3-met... CAS#:13757-91-0 |
| Literature: Leers Bulletin de la Societe Chimique de France, 1926 , vol. <4>39, p. 423 |
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3-Hydroxy-3-met... CAS#:13757-91-0 |
| Literature: Leers Bulletin de la Societe Chimique de France, 1926 , vol. <4>39, p. 423 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2914400090 |
|---|---|
| Summary | 2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-methyl-3-hydroxyheptan-2-one |
| 3-Methyl-heptanol-(3)-on-(2) |
| 3-butyl-3-hydroxy-2-butanone |
| 3-Hydroxy-3-methyl-heptan-2-on |
| 3-Hydroxy-3-methyl-2-heptanone |
| 3-hydroxy-3-methyl-heptan-2-one |
| 2-Heptanone,3-hydroxy-3-methyl |
| Methyl-butyl-acetyl-carbinol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 3-hydroxy-3-methylheptan-2-one? |
| A: Molecular formula of 3-hydroxy-3-methylheptan-2-one is C8H16O2. |
| Q: What is the polar surface area (PSA) of 3-hydroxy-3-methylheptan-2-one? |
| A: Polar surface area (PSA) of 3-hydroxy-3-methylheptan-2-one is 37.30000. |
| Q: What is the CAS number of 3-hydroxy-3-methylheptan-2-one? |
| A: CAS number of 3-hydroxy-3-methylheptan-2-one is 13757-91-0. |
| Q: What is the InChIKey of 3-hydroxy-3-methylheptan-2-one? |
| A: InChIKey of 3-hydroxy-3-methylheptan-2-one is LXVANNOZOKMRGM-UHFFFAOYSA-N. |
| Q: What are the upstream materials of 3-hydroxy-3-methylheptan-2-one? |
| A: Related upstream materials(CAS) of 3-hydroxy-3-methylheptan-2-one: 3431-67-2;431-03-8;1461-25-2;17356-17-1;591-78-6;7664-93-9. |
| Q: What is the boiling point of 3-hydroxy-3-methylheptan-2-one? |
| A: Boiling point of 3-hydroxy-3-methylheptan-2-one is 182.1ºC at 760 mmHg. |
| Q: What is the SMILES notation of 3-hydroxy-3-methylheptan-2-one? |
| A: SMILES notation of 3-hydroxy-3-methylheptan-2-one is CCCCC(C)(O)C(C)=O. |
| Q: What is the Chinese name of 13757-91-0? |
| A: Chinese name of 13757-91-0 is 13757-91-0. |
| Q: What is the LogP of 3-hydroxy-3-methylheptan-2-one? |
| A: LogP of 3-hydroxy-3-methylheptan-2-one is 1.51660. |
| Q: What English synonyms does 3-hydroxy-3-methylheptan-2-one have? |
| A: English synonyms of 3-hydroxy-3-methylheptan-2-one: 3-methyl-3-hydroxyheptan-2-one, 3-Methyl-heptanol-(3)-on-(2), 3-butyl-3-hydroxy-2-butanone, 3-Hydroxy-3-methyl-heptan-2-on, 3-Hydroxy-3-methyl-2-heptanone, 3-hydroxy-3-methyl-heptan-2-one, 2-Heptanone,3-hydroxy-3-methyl, Methyl-butyl-acetyl-carbinol. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |