Basic information
- CAS
4728-12-5- Standard SMILES
CC1(C)OCC(CO)CO1- InChIKey
BTAUZIVCHJIXAX-UHFFFAOYSA-N- Molecular formula
- C7H14O3
- Average molar mass
- 146.18 g/mol
- Monoisotopic mass
- 146.09429431
Names & identifiers
- Preferred name
- (2,2-Dimethyl-1,3-dioxan-5-yl)methanol
- IUPAC
- (2,2-dimethyl-1,3-dioxan-5-yl)methanol
- English name
- 2,2-Dimethyl-5-(hydroxymethyl)-1,3-dixoane
- Molecular formula
- C7H14O3
- Molecular weight
- 146.18
Names & synonyms
(2,2-dimethyl-1,3-dioxan-5-yl)methanol4728-12-5DTXSID60393889RefChem:1049573DTXCID503447492,2-Dimethyl-5-(hydroxymethyl)-1,3-dixoane5-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxane2,2-DIMETHYL-5-HYDROXYMETHYL-1,3-DIOXANEMFCD041197221,3-Dioxane-5-methanol,2,2-dimethyl-5-hydroxymethyl-2,2-dimethyl-1,3-dioxane1,3-Dioxane-5-methanol, 2,2-dimethyl-
Show more names
(2,2-Dimethyl-1,3-dioxan-5-yl)
2,2-dimethyl-1,3-dioxane-5-methanol(2,2-dimethyl-1,3-dioxane-5-yl)methanolSCHEMBL75036SCHEMBL714032SCHEMBL27976024BTAUZIVCHJIXAX-UHFFFAOYSA-NAKOS015842123CS-W004995
Database identifiers
- CAS
4728-12-5- PubChem CID
- 3584869
- DTXSID
DTXSID60393889- EC Number
- 921-958-4
- Nikkaji
- J1.674.127B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 197 · 197-198℃
- Boiling point
- 208 ℃ · 208℃
- Density
- 1.004 · 1.004
- Flash point
- 96 ℃ · 96℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 14.58 · 14.58±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C7H14O3/c1-7(2)9-4-6(3-8)5-10-7/h6,8H,3-5H2,1-2H3
- InChIKey
- BTAUZIVCHJIXAX-UHFFFAOYSA-N
- SMILES
- O1CC(CO)COC1(C)C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
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爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
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常州环灵化工有限公司89803005 18206112582 · [email protected]
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上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
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Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
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上海拓目化工有限公司13391076197 · [email protected]
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上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
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嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
Related reactions
53 records
Compound notes
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