Completing data — usually done within a minute
Basic information
- CAS
1818-28-6- Standard SMILES
COc1cc(OC)c(C(C)=O)cc1OC- InChIKey
GUTMBHHLVSFJIP-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.229 g/mol
- Monoisotopic mass
- 210.08920893
Names & identifiers
- Preferred name
- Ethanone, 1-(2,4,5-trimethoxyphenyl)-
- IUPAC
- 1-(2,4,5-Trimethoxyphenyl)ethan-1-one
- English name
- 2',4',5'-TRIMETHOXYACETOPHENONE
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
trimethyl(1-pyrazolyl)silane2,4,5-TRIMETHOXYACETOPHENONE2',4',5'-TRIMETHOXYACETOPHENONEAcetophenone, 2',4',5'-trimethoxy-1-(2,4,5-Trimethoxyphenyl)ethanone1-(2,4,5-trimethoxyphenyl)ethan-1-oneEthanone, 1-(2,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
1818-28-6- PubChem CID
- 74560
- DTXSID
DTXSID6061995- ChEMBL
CHEMBL4170502- UNII
- I8G31M1PRD
- EC Number
- 217-333-4
- Nikkaji
- J199.636C
Properties
Physicochemical properties
- Melting point
- 98 · 98-102°C
- Boiling point
- 285 · 285-290 °C(Press: 33 Torr)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C11H14O4/c1-7(12)8-5-10(14-3)11(15-4)6-9(8)13-2/h5-6H,1-4H3
- InChIKey
- GUTMBHHLVSFJIP-UHFFFAOYSA-N
- SMILES
- COc1cc(OC)c(cc1OC)C(C)=O
- FDA UNII
- 8 G31M1PRD · I8G31M1PRD
- EPA Substance Registry System
- 1 · Ethanone, 1-(2,4,5-trimethoxyphenyl)- (1818-28-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Eye Irrit. 2
Safety & regulation
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of acetyl chloride with hydroxyhydroquinone trimethyl ether in the presence of aluminium chloride.
Suppliers22 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
2 records
Compound notes
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