Basic information
- CAS
831-00-5- Standard SMILES
CCC(=O)c1ccc(OC)cc1OC- InChIKey
MIAQBCIDZSELDU-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Overview
2',4'-Dimethoxypropiophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 2',4'-Dimethoxypropiophenone
- IUPAC
- 1-(2,4-dimethoxyphenyl)propan-1-one
- English name
- 2' 4'-Dimethoxypropiophenone 97
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
2',4'-Dimethoxypropiophenone831-00-51-(2,4-Dimethoxyphenyl)-1-propanoneEINECS 212-601-7DTXSID00232167NSC 34097RefChem:439432DTXCID00154658212-601-71-(2,4-dimethoxyphenyl)propan-1-onePropiophenone, 2',4'-dimethoxy-1-Propanone, 1-(2,4-dimethoxyphenyl)-
Show more names
2' 4'-DIMETHOXYPROPIOPHENONE 972' 4'-Dimethoxypropiophenone 972',4'-Dimethoxypropiophenone 97%1,3-Dimethoxy-4-propionylbenzenePropan-1-one, 1-(2,4-dimethoxyphenyl)-
NSC34097Maybridge4_000442MFCD00027012NSC-340979EYJ6T4Z7DCCG-43153AKOS000296109NCGC00177575-01
Database identifiers
- CAS
831-00-5- PubChem CID
- 70020
- DTXSID
DTXSID00232167- ChEBI
CHEBI:167433- UNII
- 9EYJ6T4Z7D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 76 · 76-80 °C(lit.)
- form
- solid
- InChI
- 1S/C11H14O3/c1-4-10(12)9-6-5-8(13-2)7-11(9)14-3/h5-7H,4H2,1-3H3
- InChIKey
- MIAQBCIDZSELDU-UHFFFAOYSA-N
- SMILES
- CCC(=O)c1ccc(OC)cc1OC
- FDA UNII
- 9 EYJ6T4Z7D · 9EYJ6T4Z7D
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationPreparation by reaction of dimethyl sulfate with respropiophenone in methanol, in the presence of aqueous sodium hydroxide solution (89%) ; in the presence of potassium hydroxide.
Suppliers16 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [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]
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18916372613 · [email protected]
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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