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Basic information
- CAS
129520-41-8- Standard SMILES
CCOC(=O)[C@@]12CCC[C@@H]1[C@H]1CC[C@@H]2C1- InChIKey
MGQPKOBPXHENPO-SBFPOUOMSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.301 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Ethyl (3aR,4R,7S,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate rel
- IUPAC
- Ethyl (3aR,4R,7S,7aR)-octahydro-3aH-4,7-methanoindene-3a-carboxylate
- English name
- Ethyl(3a.alpha.,4.beta.,7.beta.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
FRUITATE, KAOfruity carboxylate4,7-Methan-3aH-Inden-3a-Carbonsure, octahydro-, Ethylester (Stereo Isomer Gemisch)4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aR,4R,7S,7aR)-rel-Ethyl(3a.alpha.,4.beta.,7.beta.,7a.alpha.)-Octahydro-4,7-methano-3aH-indene-3a-carboxylate4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3 aalpha,4beta,7beta,7aalpha)-7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3a.alpha., 4.beta.,7.beta.,7a.alp4
Database identifiers
- CAS
129520-41-8、80623-07-0- PubChem CID
- 157342
- DTXSID
DTXSID9052551
Properties
Physicochemical properties
- Boiling point
- 261.8 · 261.8±8.0 °C(Predicted)
- Density
- 1.106 · 1.106±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. sweet fruity rum candy floral ripe
- Odor Type
- fruity
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.699 · 3.699 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
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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