Basic information
- CAS
872-98-0- Standard SMILES
CC1(C)COCOC1- InChIKey
QDCJIPFNVBDLRH-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- 5,5-Dimethyl-1,3-dioxane
- IUPAC
- 5,5-dimethyl-1,3-dioxane
- English name
- 5,5-Dimethyl-1,3-dioxane
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
5,5-Dimethyl-1,3-dioxane872-98-01,3-Dioxane, 5,5-dimethyl-5,5-Dimethyl-m-dioxanem-Dioxane, 5,5-dimethyl-EA3NWA96LKEINECS 212-834-4NSC-139437DTXSID20236182NSC 139437RefChem:101033DTXCID20158673
Show more names
TIMTEC-BB SBB0082065,5-DIMETHYL-1,3-DIOXANE 95+%
212-834-4QDCJIPFNVBDLRH-UHFFFAOYSA-NMFCD00014646neopentylene formal5,5-Dimethyl-m-dioxane; NSC 139437NSC139437UNII-EA3NWA96LKSCHEMBL649202
Database identifiers
- CAS
872-98-0- PubChem CID
- 70109
- DTXSID
DTXSID20236182- UNII
- EA3NWA96LK
- EC Number
- 212-834-4
- Nikkaji
- J43.400K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.6
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 126.5 °C · 126.5 °C
- Density
- 0.914 · 0.914±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- FDA UNII
- 3 NWA96LK · EA3NWA96LK
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H226-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H315-H226-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses5,5-Dimethyl-1,3-dioxane is used in preparation of Neopentyl Glycol.
Upstream & downstream products
Downstream products
Suppliers22 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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