Basic information
- CAS
65490-09-7- Standard SMILES
COCOc1cc(O)c(C(C)=O)c(OCOC)c1- InChIKey
QRBAILXEWUGUQB-UHFFFAOYSA-N- Molecular formula
- C12H16O6
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.09468823
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone
- IUPAC
- 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone
- English name
- 1-(2-hydroxy-4,6-bis(methoxymethoxy)phenyl)ethanone
- Molecular formula
- C12H16O6
- Molecular weight
- 256.25
Names & synonyms
65490-09-71-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]ethanone1-(2-Hydroxy-4,6-bis(methoxymethoxy)phenyl)ethanoneMFCD279270351-(2-Hydroxy-4,6-bis(methoxymethoxy)phenyl)ethan-1-oneCS-0454681H17262',4'-Bis(methoxymethoxy)-6'-hydroxyacetophenone1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]ethan-1-oneSCHEMBL656327CHEMBL4435440SCHEMBL30792317
Show more names
1-(2-hydroxy-4,6-bis(methoxy)phenyl)ethylone2’,4’-Bis(methoxymethoxy)-6’-hydroxyacetophenoneEthanone, 1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-
DTXSID604469201-[2-hSY249772E879562'-hydroxy-4',6'-bis(methoxymethoxy)acetophenoneF7753102 inverted exclamation mark ,4 inverted exclamation mark -Bis(methoxymethoxy)-6 inverted exclamation mark -hydroxyacetophenone
Database identifiers
- CAS
65490-09-7- PubChem CID
- 10879697
- DTXSID
DTXSID60446920- ChEMBL
CHEMBL4435440- Nikkaji
- J736.530F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 52 °C · 52°C
- Boiling point
- 415.8 · 415.8±45.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.09 · 9.09±0.15(Predicted)
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914.5 · 2914.50.3000
Safety & regulation
Safety data
- hs_code
- 2914.50.3000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationObtained by reaction of methoxymethyl chloride with phloroacetophenone in the presence of potassium carbonate,.
Upstream & downstream products
Downstream products
Suppliers26 total
云南苏理生物医药科技有限公司0871-68355600 18787766125
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
合肥诚权生物科技有限公司0551-0551130 13034045150
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
江苏科洛明新材料科技有限公司15358977508 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
成都睿和德医药科技有限公司17381862311; 17381862311 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
8 records
Compound notes
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