Basic information
- CAS
69486-14-2- Standard SMILES
CC=C1CC2CC1C1CCC(=O)OC21- InChIKey
LLVFKEOMLYDSGT-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Overview
See other relationships...
Names & identifiers
- Preferred name
- 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one
- IUPAC
- 9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecan-4-one
- English name
- 5,8-Methano-2H-1-benzopyran-2-one,6-ethylideneoctahydro-
- Molecular formula
- C12H16O2
- Molecular weight
- 192.25
Names & synonyms
SCHEMBL1427295DTXSID8052439LLVFKEOMLYDSGT-UHFFFAOYSA-NNS000124226-Ethylideneoctahydro-2H-5,8-methanochromen-2-one6-Ethylideneoctahydro-2H-5,8-methano-1-benzopyran-2-oneFlorex6-Ethylideneoctahydro-5,8-methano-2H-1-benzopyran-2-oneFLOREX 943020tonka undecanone8-METHANO-2H-1-BENZOPYRAN-2-ONE5,8-Methano-2H-1-benzopyran-2-one,6-ethyliden
Show more names
9-Ethylidene-3-oxatricyclo[6.2.1.02,7]undecane-4-one5,8-Methano-2H-1-benzopyran-2-on, 6-ethylidenoctahydro-5,8-Methano-2H-1-benzopyran-2-one,6-ethylideneoctahydro-8-METHANO-2H-1-BENZOPYRAN-2-ONE, 6-ETHYLIDENEOCTAHYDRO-5
Database identifiers
- CAS
69486-14-2- PubChem CID
- 112152
- DTXSID
DTXSID8052439
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Boiling point
- 336.7 · 336.7±41.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. sweet spicy balsam tonka woody tobacco green
- Odor Type
- tonka
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.427 · 2.427 (est)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 5 · 5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro- (69486-14-2)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- 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,GHS09
- Hazard statements
- H302-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers16 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
佛山晟熠生物科技有限公司18064670521 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北麦凯斯精化科技有限责任公司13026126800 13026126800;13027176014 · [email protected]
武汉青衫合源生物科技有限公司027-18327024450 18327024450 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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