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Basic information
- CAS
2425-41-4- Standard SMILES
OCC1(CO)COC(c2ccccc2)OC1- InChIKey
DHWCGYXHBIWIPM-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.256 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- m-Dioxane-5,5-dimethanol, 2-phenyl-
- IUPAC
- (2-Phenyl-1,3-dioxane-5,5-diyl)dimethanol
- English name
- 5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane
- Molecular formula
- C12H16O4
- Molecular weight
- 224.25
Names & synonyms
NSC 48280MONOBENZALPENTAERYTHRITOLO,O'-BENZYLIDENEPENTAERYTHRITOL2-phenyl-m-dioxane-5-dimethanol2-phenyl-m-dioxane-5,5-dimethanol5,5-Bis(hydroxymethyl)-2-phenyl-12-PHENYL-1,3-DIOXANE-5,5-DIMETHANOL1,3-Dioxane-5,5-dimethanol, 2-phenyl-1,3-Dioxane-5,5-dimethanol, 2-phenyl- (9CI)5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane
Database identifiers
- CAS
2425-41-4- PubChem CID
- 17042
- DTXSID
DTXSID70178947- UNII
- 45KS02OV17
- EC Number
- 683-720-3
- Nikkaji
- J962.053B
Properties
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 325.65 °C · 325.65°C (rough estimate)
- Density
- 1.1697 · 1.1697 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 14.27 · 14.27±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2
- InChIKey
- DHWCGYXHBIWIPM-UHFFFAOYSA-N
- SMILES
- O1CC(CO)(CO)COC1C1=CC=CC=C1
- CAS DataBase Reference
- 2425 · 2425-41-4(CAS DataBase Reference)
- FDA UNII
- 45 KS02OV17 · 45KS02OV17
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- RTECS
- 300000 · JH0300000
- HS Code
- 2932.99 · 2932.99.7000
Safety & regulation
Safety data
- rtecs
- JH0300000
- hs_code
- 2932.99.7000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Preparation methods
PreparationTo a flask containing a solution of 136.0 gm (1.0 mole) of pentaerythritol in 1 liter of water (25-29°C) is added 5.0 ml of concentrated hydrochloric acid and then 106 gm (1.0 mole) of benzaldehyde is dropwise added (approx. 2 - 3 hr). The mixture is stirred for 3-5 hr and then the precipitated product is filtered, recrystallized from 1500 ml of slightly alkaline water ( N a 2C03) , filtered, and dried. The product is again recrystallized from toluene (1.3-1.5 liters) to afford 175 gm (80%), m.p. 133.5°C.
Suppliers46 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
Related reactions
1 records
Compound notes
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