Basic information
- CAS
7148-50-7- Standard SMILES
CCCC1(C)COC(=O)OC1- InChIKey
QPAWSFWKAUAJKW-UHFFFAOYSA-N- Molecular formula
- C8H14O3
- Average molar mass
- 158.19 g/mol
- Monoisotopic mass
- 158.0942943
Names & identifiers
- Preferred name
- 5-Methyl-5-propyl-1,3-dioxan-2-one
- IUPAC
- 5-methyl-5-propyl-1,3-dioxan-2-one
- English name
- 5-methyl-5-propyl-1,3-dioxan-2-one
- Molecular formula
- C8H14O3
- Molecular weight
- 158.2
Names & synonyms
5-Methyl-5-propyl-1,3-dioxan-2-one7148-50-71,3-Dioxan-2-one, 5-methyl-5-propyl-UNII-FXX4CCT5JINSC 65885FXX4CCT5JICarbonic acid, cyclic 2-methyl-2-propyltrimethylene esterEINECS 230-465-7NSC-65885DTXSID7064574CARISOPRODOL IMPURITY B [EP IMPURITY]CARISOPRODOL IMPURITY B (EP IMPURITY)
Show more names
Carisoprodol iMpurity B5-Methyl-5-Propyl-2-methyl DioxanoneBupropion Impurity 9（2-Chloro Analog）-d95-methyl-5-propyl-1,3-dioxide-cyclohexanedioneCarbonic acid 2-Methyl-2-propyltriMethylene ester
RefChem:103162DTXCID0047030230-465-75-Methyl-5-propyl-2-dioxanoneCarisoprodol EP Impurity BMFCD000238655-Methyl-5-propyl-2-dioxanone (80%)1, 5-methyl-5-propyl-
Database identifiers
- CAS
7148-50-7- PubChem CID
- 81571
- DTXSID
DTXSID7064574- UNII
- FXX4CCT5JI
- EC Number
- 230-465-7
- Nikkaji
- J227.400K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 90 · 90-93°[email protected]
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Colorless to off-white oil
- Stability
- Moisture Sensitive
- FDA UNII
- 4 CCT5JI · FXX4CCT5JI
- EPA Substance Registry System
- 1 · 1,3-Dioxan-2-one, 5-methyl-5-propyl- (7148-50-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P280
- TSCA
- TSCA listed
- HS Code
- 2932990090 · 2932990090
- REACH Registrations
- Active
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 5-methyl-5-propyl-1,3-dioxan-2-one (EC: 230-465-7)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxan-2-one, 5-methyl-5-propyl-: ACTIVE
Applications
UsesA intermediate in the synthesis of Carisoprodol
UsesAn intermediate in the synthesis of Carisoprodol.
Upstream & downstream products
Downstream products
Suppliers47 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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