Basic information
- CAS
7651-50-5- Standard SMILES
CC(C)C1OCC(C)(C)CO1- InChIKey
AWSZUOKHFRWQFK-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 2-Isopropyl-5,5-dimethyl-1,3-dioxane
- IUPAC
- 5,5-dimethyl-2-propan-2-yl-1,3-dioxane
- English name
- 2-isopropyl-5,5-dimethyl-1,3-dioxane
- Molecular formula
- C9H18O2
- Molecular weight
- 158.23802
Names & synonyms
2-Isopropyl-5,5-dimethyl-1,3-dioxane7651-50-55,5-Dimethyl-2-isopropyl-1,3-dioxane1,3-Dioxane, 5,5-dimethyl-2-(1-methylethyl)-EINECS 231-611-2DC458W5KSJAI3-23742NSC-75465DTXSID50227321NSC 75465M-DIOXANE, 2-ISOPROPYL-5,5-DIMETHYL-5,5-DIMETHYL-2-(1-METHYLETHYL)-1,3-DIOXANE
Show more names
2-isopropyl-5,5-dimethyl-1,3-dioxyclohexane
RefChem:87729DTXCID50149812231-611-2AWSZUOKHFRWQFK-UHFFFAOYSA-N5,5-dimethyl-2-propan-2-yl-1,3-dioxaneMFCD305338145,5-Dimethyl-2-(1-methylethyl)-1,3-dioxane; 2-Isopropyl-5,5-dimethyl-1,3-dioxane;NSC75465
Database identifiers
- CAS
7651-50-5- PubChem CID
- 82103
- DTXSID
DTXSID50227321- UNII
- DC458W5KSJ
- EC Number
- 231-611-2
- Nikkaji
- J307.907D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- solubility
- Chloroform (Sligthly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Volatile
- FDA UNII
- 458 W5KSJ · DC458W5KSJ
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
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
- Danger
- Symbol(GHS)
- GHS02
- Hazard statements
- H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235
Chemistry & industry
Applications
Uses5,5-Dimethyl-2-isopropyl-1,3-dioxane is Iranian essential oil that is used in cosmetics.
Suppliers10 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
河南伊诺凯新材料有限公司15090072163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…