1-Methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
Basic information
- CAS
96-08-2- Standard SMILES
CC1OC1C1CCC2(C)OC2C1- InChIKey
YIEDFHHVUWKOEV-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 1-Methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
- IUPAC
- 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
- English name
- 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptaneSCHEMBL1001233CHEMBL3187590YIEDFHHVUWKOEV-UHFFFAOYSA-NTox21_302214CAS-96-08-2NCGC00255956-01NS000229097-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-LDOLIMONENE DIOXIDELimonene diepoxide
Show more names
unox269Unox 269epoxide269Epoxide 269CINENE DIOXIDEdipenteneoxide
Database identifiers
- CAS
96-08-2- PubChem CID
- 7275
- DTXSID
DTXSID9042097- ChEMBL
CHEMBL3187590
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 237.18 °C · 237.18°C (rough estimate)
- Density
- 0.9607 · 0.9607 (rough estimate)
- refractive index
- 1.448 · 1.4480 (estimate)
- Odor
- 100 % · at 100.00 %. mentholic
- Odor Type
- mentholic
- InChI
- InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
- InChIKey
- RBHIUNHSNSQJNG-UHFFFAOYSA-N
- SMILES
- C12(C)C(O1)CC(C1(C)CO1)CC2
- LogP
- 0.663 · 0.663 (est)
- CAS DataBase Reference
- 96 · 96-08-2
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 TUW5WEJ9 · M6TUW5WEJ9
- EPA Substance Registry System
- Limonene dioxide (96-08-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501
- Hazardous Substances Data
- 96-08-2(Hazardous Substances Data)
Chemistry & industry
Applications
Uses1-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANE is used as intermediates for epoxy resins; coatings for food packaging materials; applications in light modeling and medical model making; intermediates for electronic materials; automotive primers; high-voltage cables.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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