Basic information
- Standard SMILES
CCC(=O)c1ccc(OC)cc1- InChIKey
ZJVAWPKTWVFKHG-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Overview
P-Methoxypropiophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 4-Propanoylanisole
- IUPAC
- 1-(4-methoxyphenyl)propan-1-one
- English name
- Methoxypropiophenone
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
4'-Methoxypropiophenone121-97-1p-Methoxypropiophenone1-Propanone, 1-(4-methoxyphenyl)-Propiophenone, 4'-methoxy-1-(4-Methoxyphenyl)-1-propanoneEthyl 4-methoxyphenyl ketone4-PropanoylanisoleV4W5HX9O2DETHYL P-METHOXYPHENYL KETONEEINECS 204-512-7NSC 11834
Show more names
4-METHOXYPROPIOPHENONEpara-methoxypropiophenone4-PROPIONYLANISOLEmethoxypropiophenonep-Methoxypropiophenon4-Methxyphenyl acetone
NSC-11834AI3-04094DTXSID0059536PROPIOPHENONE, P-METHOXY-EC 204-512-71-METHOXY-4-PROPANOYLBENZENE1-PROPANOYL-4-METHOXYBENZENERefChem:526553
Database identifiers
- CAS
121-97-1- PubChem CID
- 67144
- DTXSID
DTXSID0059536- ChEMBL
CHEMBL444556- ChEBI
CHEBI:167420- UNII
- V4W5HX9O2D
- EC Number
- 204-512-7
- Nikkaji
- J60.315E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 27 · 27-29 °C(lit.)
- Boiling point
- 273 · 273-275 °C(lit.)
- Density
- 0.937 g/mL · 0.937 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5465(lit.)
- Flash point
- 142 °F · 142 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- Specific Gravity
- 0.937 · 0.937
- color
- Clear colorless to amber
- Odor
- 1 % · at 1.00 % in dipropylene glycol. musty anisic
- Odor Type
- musty
- BRN
- 907733 · 907733
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
- InChIKey
- ZJVAWPKTWVFKHG-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(OC)C=C1)(=O)CC
- LogP
- 2.359 · 2.359 (est)
- CAS DataBase Reference
- 121 · 121-97-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 W5HX9O2D · V4W5HX9O2D
- NIST Chemistry Reference
- 1 · 1-Propanone, 1-(4-methoxyphenyl)-(121-97-1)
- EPA Substance Registry System
- 1 · 1-Propanone, 1-(4-methoxyphenyl)- (121-97-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 228 · H228-H227
- Precautionary statements
- 210 e-P280a-P370+P378a-P403+P235-P501a-P210-P240-P241-P280 · P210e-P280a-P370+P378a-P403+P235-P501a-P210-P240-P241-P280
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 4.1 · 4.1
- PackingGroup
- III
- HS Code
- 29145090 · 29145090
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H228 (66.7%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanone, 1-(4-methoxyphenyl)-
Status: Active Update: 29-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5905
Other Safety InformationIMAP assessments - 1-Propanone, 1-(4-methoxyphenyl)-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Sol. 2 (66.7%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 29145090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- hazard_class
- 4.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H228-H227
- REACH Registrations
- Active
- Precautionary statements
- P210e-P280a-P370+P378a-P403+P235-P501a-P210-P240-P241-P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 1-(4-methoxyphenyl)-: INACTIVE
Applications
Uses4''-Methoxypropiophenone is a compound useful in organic synthesis.
Preparation methods
PreparationPreparation by reaction of ethylmagnesium bromide with p-methoxybenzonitrile (95%).
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
河北缤享新材料科技有限公司+8618633865755 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Hebei shenghao import and export trade co. LTD+8618431136903
武汉盈邦医药有限公司+86-13296627870; +86-13971566811 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[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]
石家庄通洋进出口有限公司[email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Hebei Runbin Biotechnology Co. LTD13180553332 · [email protected]
Additional notes
DefinitionChEBI: P-Methoxypropiophenone is an aromatic ketone.
Related reactions
42 records
Linked notes
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