1,3-Butanediol,2,2-dimethyl
1,3-Butanediol,2,2-dimethyl structure
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Common Name | 1,3-Butanediol,2,2-dimethyl | ||
|---|---|---|---|---|
| CAS Number | 76-35-7 | Molecular Weight | 118.17400 | |
| Density | 0.96g/cm3 | Boiling Point | 200.5ºC at 760mmHg | |
| Molecular Formula | C6H14O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 87.6ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,2-dimethylbutane-1,3-diol |
|---|---|
| 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 | 0.96g/cm3 |
|---|---|
| Boiling Point | 200.5ºC at 760mmHg |
| Molecular Formula | C6H14O2 |
| Molecular Weight | 118.17400 |
| Flash Point | 87.6ºC |
| Exact Mass | 118.09900 |
| PSA | 40.46000 |
| LogP | 0.38570 |
| InChIKey | QXKKYNIWAYERHT-UHFFFAOYSA-N |
| SMILES | CC(O)C(C)(C)CO |
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 presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Kelso et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 287,292 |
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~54%
1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Hellier, Desmond G.; Phillips, Andrew M. Organic Magnetic Resonance, 1982 , vol. 18, # 3 p. 178 - 184 |
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~55%
1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Virtanen, Terttu; Nikander, Hannu Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1982 , vol. 36, # 2 p. 113 - 116 |
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1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Hoffmann, Reinhard W.; Ditrich, Klaus; Froech, Sybille Liebigs Annalen der Chemie, 1987 , p. 977 - 986 |
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1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Fossek; Swoboda Monatshefte fuer Chemie, 1890 , vol. 11, p. 389 |
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1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Balasubramaniam, Rajiv P.; Moss, David K.; Wyatt, Justin K.; Spence, John D.; Gee, Arvin; Nantz, Michael H. Tetrahedron, 1997 , vol. 53, # 22 p. 7429 - 7444 |
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1,3-Butanediol,... CAS#:76-35-7
Learn More
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| Literature: Balasubramaniam, Rajiv P.; Moss, David K.; Wyatt, Justin K.; Spence, John D.; Gee, Arvin; Nantz, Michael H. Tetrahedron, 1997 , vol. 53, # 22 p. 7429 - 7444 |
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1,3-Butanediol,... CAS#:76-35-7 |
| Literature: Franke; Kohn Monatshefte fuer Chemie, 1906 , vol. 27, p. 1101 |
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1,3-Butanediol,... CAS#:76-35-7
Detail
Learn More
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| Literature: Franke; Kohn Monatshefte fuer Chemie, 1906 , vol. 27, p. 1101 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 4 | |
CAS#:513-35-9
CAS#:15833-75-7
CAS#:29269-83-8![3,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-ol structure](https://image.chemsrc.com/caspic/484/61478-20-4.png)
CAS#:61478-20-4This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2,2-Dimethyl-1,3-butanediol |
| 2,2-Dimethyl-1,3-butandiol |
| 2,2-Dimethyl-butandiol-1,3 |
| 2,2-Dimethyl-butan-1,3-diol |
| 2,2-dimethyl-butane-1,3-diol |
| 1,3-BUTANEDIOL,2,2-DIMETHYL |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2,2-dimethylbutane-1,3-diol? |
| A: Boiling point of 2,2-dimethylbutane-1,3-diol is 200.5ºC at 760mmHg. |
| Q: What is the LogP of 2,2-dimethylbutane-1,3-diol? |
| A: LogP of 2,2-dimethylbutane-1,3-diol is 0.38570. |
| Q: What is the molecular formula of 2,2-dimethylbutane-1,3-diol? |
| A: Molecular formula of 2,2-dimethylbutane-1,3-diol is C6H14O2. |
| Q: What is the English name of 2,2-dimethylbutane-1,3-diol? |
| A: The English name of 2,2-dimethylbutane-1,3-diol is 2,2-dimethylbutane-1,3-diol. |
| Q: What is the CAS number of 2,2-dimethylbutane-1,3-diol? |
| A: CAS number of 2,2-dimethylbutane-1,3-diol is 76-35-7. |
| Q: What are the downstream products of 2,2-dimethylbutane-1,3-diol? |
| A: Related downstream products(CAS) of 2,2-dimethylbutane-1,3-diol: 513-35-9;15833-75-7;29269-83-8;61478-20-4. |
| Q: What are the upstream materials of 2,2-dimethylbutane-1,3-diol? |
| A: Related upstream materials(CAS) of 2,2-dimethylbutane-1,3-diol: 89534-28-1;7505-94-4;109863-11-8;75-07-0;78-84-2;18511-56-3;75-24-1;917-64-6;597-31-9. |
| Q: What is the SMILES notation of 2,2-dimethylbutane-1,3-diol? |
| A: SMILES notation of 2,2-dimethylbutane-1,3-diol is CC(O)C(C)(C)CO. |
| Q: What is the InChIKey of 2,2-dimethylbutane-1,3-diol? |
| A: InChIKey of 2,2-dimethylbutane-1,3-diol is QXKKYNIWAYERHT-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 2,2-dimethylbutane-1,3-diol? |
| A: Molecular weight of 2,2-dimethylbutane-1,3-diol is 118.17400. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |