Basic information
- CAS
96-08-2- Standard SMILES
CC1(C2CCC3(C)OC3C2)CO1- InChIKey
RBHIUNHSNSQJNG-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Limonene diepoxide
- IUPAC
- 1-methyl-4-(2-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
Limonene dioxide96-08-2Limonene diepoxideDipentene dioxide1-Methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptaneDipentene diepoxideDipentene oxideUnox epoxide 269Epoxide 269Unox 269Unoxat epoxide 2691,2,8,9-Diepoxylimonene
Show more names
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-LDOunox269epoxide269CINENE DIOXIDEdipenteneoxide
diepoxylimonenep-Menthane, 1,2:8,9-diepoxy-1,2:8,9-DIEPOXY-P-MENTHANEMenthane, 1,2:8,9-diepoxy-.alpha.-Limonene diepoxideM6TUW5WEJ91-METHYL-4-(2-METHYLOXIRANYL)-7-OXABICYCLO[4.1.0]HEPTANENSC 30545
Database identifiers
- CAS
96-08-2- PubChem CID
- 232703
- ChEMBL
CHEMBL1880461- UNII
- M6TUW5WEJ9
- EC Number
- 202-475-1
- Nikkaji
- J20.670I
Properties
Computed structural properties
- XLogP
- 1.1
- 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
- 228
Experimental & physicochemical properties
OdorMILD METHANOL LIKE ORDOR
Density1.0287 @ 20 °C/4 °C
Color/FormCOLORLESS LIQUID
SolubilitySLIGHTLY SOL IN WATER; MISCIBLE WITH METHANOL AND BENZENE; MISCIBLE WITH CARBON TETRACHLORIDE AND HEXANE
Flash Point
118 °C
118 °C OC
Boiling Point242 °C
Melting PointFREEZING POINT: -100 °C
Vapor Density7.40
Vapor Pressure
0.02 [mmHg]
0.02 MM HG @ 20 °C
Physical Description
Liquid
Colorless liquid with an odor of methanol; [HSDB]
Kovats Retention Index
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
This chemical does not meet GHS hazard criteria for 4.8% (4 of 84) of reports.
Warning
H312 (95.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H319 (20.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 84 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 4 of 84 reports by companies.；There are 6 notifications provided by 80 of 84 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
7-Oxabicyclo4.1.0heptane, 1-methyl-4-(2-methyloxiranyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryEmergency treatment: irritants; [HSDB] May cause irritation; [MSDSonline]
Chemistry & industry
Uses & manufacturing
Uses
Used to make plasticizers, epoxy resins, and drugs; [Hawley]
PHARMACETICALS
IT HAS BEEN SUGGESTED AS DILUENT FOR EPOXY RESINS, AS AN INTERMEDIATE IN THE PREPN OF MODIFIED ALKYD RESINS, A PLASTICIZER, LUBRICANT ADDITIVE, AND CHEMICAL INTERMEDIATE.
U.S. Production2023: 1,000,000 - <5,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Consumer UsesOdor agents
Industry UsesIntermediates
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)-: ACTIVE
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
5 records
Compound notes
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