Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
Basic information
- CAS
52557-97-8- Standard SMILES
COC(=O)C1C2CCC(C2)C1(C)C- InChIKey
RIRHRDQSVNKELB-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Overview
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Names & identifiers
- Preferred name
- Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
- IUPAC
- methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate
- English name
- CISTULATE
- Molecular formula
- C11H18O2
- Molecular weight
- 182.26
Names & synonyms
Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate3,3-Dimethylnorbornane-2-carboxylic acid methyl esterCISTULATEfir carboxylateSCHEMBL195829DTXSID6052162NS00057654Methyl 3,3-dimethylbicyclo[2.2.1]heptane-2-carboxylate #2,2-dimethylbicyclo(2.2.1)heptane-3-carboxylicacid,methylester;3,3-dimethyl-2-norbornanecarboxylicacimethylester;3,3-dimethyl-bicyclo[2.2.1]heptane-2-carboxylicacimethylester;Bicyclo[2.2.2]heptane-2-carboxylicacid,3,3-dimethyl-,methylester;methylcamphenoEinecs 258-005-0methylcamphenoate3,3-dimethyl-2-norbornanecarboxylicacimethylester
Show more names
3,3-dimethyl-2-norbornanecarboxylic acid methyl esterMETHYL-2,2-DIMETHYLBICYCLO-(2.2.1)HEPTANE-3-CARBOXYLATE2-Norbornanecarboxylic acid, 3,3-dimethyl-, methyl ester
Database identifiers
- CAS
52557-97-8- PubChem CID
- 575405
- DTXSID
DTXSID6052162- Nikkaji
- J64.712H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 275.67 °C · 275.67°C (rough estimate)
- Density
- 0.9813 · 0.9813 (rough estimate)
- refractive index
- 1.4614 · 1.4614 (estimate)
- Odor
- 100 % · at 100.00 %. natural pine fir green fruity woody
- Odor Type
- balsamic
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.235 · 3.235 (est)
- EPA Substance Registry System
- 2.2 · Bicyclo[2.2.1]heptane-2-carboxylic acid, 3,3-dimethyl-, methyl ester (52557-97-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- 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.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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