Basic information
- CAS
10487-10-2- Standard SMILES
COc1cc(OC)c(C(=O)c2cccc(OC)c2OC)c(OC)c1- InChIKey
DWJHERASKBDBHR-UHFFFAOYSA-N- Molecular formula
- C18H20O6
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.12598835
Names & identifiers
- Preferred name
- (2,3-Dimethoxyphenyl)(2,4,6-trimethoxyphenyl)methanone
- IUPAC
- (2,3-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)methanone
- English name
- 2-Pentanone, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-
- Molecular formula
- C6H6F6O2
- Molecular weight
- 224.1
Names & synonyms
(2,3-dimethoxyphenyl)(2,4,6-trimethoxyphenyl)methanoneNSC466866343-02-8(2,3-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)methanoneDTXSID70909253NSC-46686DS-0077101,1,1-Trifluoro-2-trifluoromethyl-2-hydroxy pentan-4-one5，5，5-trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentylone5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)pentan-4-one
Show more names
2-Pentanone, 5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)-5,55,5,5-Trifluoro-4-Hydroxy-4-(Trifluoromethyl)-2-Pentanone
Database identifiers
- CAS
10487-10-2、6343-02-8- PubChem CID
- 240481
- DTXSID
DTXSID70909253
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Boiling point
- 195 ℃ · 195℃
- Density
- 1.445 · 1.445
- refractive index
- 1.343 · 1.3430
- Flash point
- 71 ℃ · 71℃
- pka
- 9.01 · 9.01±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330
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
- H302-H315-H320-H335
- Precautionary statements
- P264-P270-P301+P312-P330
Chemistry & industry
Suppliers34 total
杭州品高化工有限公司0571-87658025 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
青岛星斓新材料科技有限公司13105195659 13105195659 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
QINGDAO KAIENSI INTERNATIONAL TRADE CO.,LTD.+86-0532-8699-9256 +86-18518128472 · [email protected]
Shanghai Zhuangming Biopharma Co., Ltd.+86-2158073036 17312391916 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州源起材料科技有限公司17701559125 · [email protected]
苏州源起材料科技有限公司+86-512-68662322 +86-17312436797 · [email protected]
上海石洋化工有限公司+86-021-56795779 +86-13651600618 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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