Basic information
- CAS
72175-33-8- Standard SMILES
COC(=O)C1OC1(C)C1CC2C=CC1C2- InChIKey
PDYPVRXNANFCNW-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl ester
- IUPAC
- methyl 3-(2-bicyclo[2.2.1]hept-5-enyl)-3-methyloxirane-2-carboxylate
- English name
- methyl 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyloxirane-2-carboxylate
- Molecular formula
- C12H16O3
- Molecular weight
- 208.25
Names & synonyms
Methyl 3-bicyclo(2.2.1)hept-5-en-2-yl-3-methyloxirane-2-carboxylateEINECS 276-437-8DTXSID50868096Methyl 3-methyl-3-(bicyclo(2.2.1)hept-5-en-2-yl)-2-oxiranecarboxylate2-Oxiranecarboxylic acid, 3-bicyclo(2.2.1)hept-5-en-2-yl-3-methyl-, methyl esterOxiranecarboxylic acid, 3-bicyclo(2.2.1)hept-5-en-2-yl-3-methyl-, methyl esterOxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl esterMETHYL 3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-3-METHYLOXIRANE-2-CARBOXYLATE2-Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl esterRefChem:477590DTXCID70816236276-437-8
Show more names
GLYCOMELmethyl bicycloheptenyl methyloxirane carboxylateMethyl-3-bicyclo(2.2.1)hept-5-en-2-yl-3-methyloxiran-2-carboxylatmethyl 3-(5-bicyclo[2.2.1]hept-2-enyl)-3-methyloxirane-2-carboxylateMethyl 3-methyl-3-(bicyclo[2.2.1]hept-5-en-2-yl)-2-oxiranecarboxylate3-(Bicyclo[2.2.1]hept-5-en-2-yl)-3-methyloxiranecarboxylic acid methyl ester
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 261.5 · 261.5±40.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fruity floral sugary jasmin magnolia rose clover melon
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 1.893 · 1.893 (est)
- EPA Substance Registry System
- 3 · Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl ester (72175-33-8)
- TSCA
- TSCA listed
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl ester
Other Safety InformationIMAP assessments - Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl ester: INACTIVE
Suppliers1 total
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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