Basic information
- CAS
585-74-0- Standard SMILES
CC(=O)c1cccc(C)c1- InChIKey
FSPSELPMWGWDRY-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Overview
M-Methylacetophenone is an aromatic ketone.
Names & identifiers
- Preferred name
- 3-Methylacetophenone
- IUPAC
- 1-(3-methylphenyl)ethanone
- English name
- 3'-Methylacetophenone
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
3'-Methylacetophenone585-74-03-METHYLACETOPHENONEEthanone, 1-(3-methylphenyl)-Acetophenone, m-methyl-Acetophenone, 3'-methyl-V3KL17Y68NEINECS 209-561-8NSC 46632NSC-46632DTXSID5074717mMethylacetophenone
Show more names
1-(m-tolyl)ethan-1-oneM-METHYLACETOPHENONE1-m-tolylethanoneM-ACETYLTOLUENE3-ACETYLTOLUENECelecoxib Impurity 50METHYL M-TOLYL KETONEm-tolyl methyl ketone
3'methylacetophenoneAcetophenone, mmethylAcetophenone, 3'methylRefChem:504117Ethanone, 1(3methylphenyl)Acetophenone, 3'methyl (8CI)DTXCID0042402Acetophenone, 3'-methyl-(8CI)
Database identifiers
- CAS
585-74-0- PubChem CID
- 11455
- DTXSID
DTXSID5074717- ChEBI
CHEBI:178621- UNII
- V3KL17Y68N
- EC Number
- 209-561-8
- Nikkaji
- J45.640C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Vapor Pressure0.22 [mmHg]
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -9 °C · -9 °C (lit.)
- Boiling point
- 218 · 218-220 °C (lit.)
- Density
- 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.529(lit.)
- Flash point
- 185 °F · 185 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Difficult to mix.
- form
- Liquid
- Specific Gravity
- 0.986 · 0.986
- color
- Clear colorless to slightly yellow
- BRN
- 956637 · 956637
- Henry's Law Constant
- 1.5 · 1.5×100 mol/(m3Pa) at 25℃, Ji et al. (2008)
- InChI
- 1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
- InChIKey
- FSPSELPMWGWDRY-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cccc(C)c1
- LogP
- 2.15 · 2.150
- CAS DataBase Reference
- 585 · 585-74-0(CAS DataBase Reference)
- FDA UNII
- 3 KL17Y68N · V3KL17Y68N
- NIST Chemistry Reference
- 1 · Ethanone, 1-(3-methylphenyl)-(585-74-0)
- EPA Substance Registry System
- 1 · Ethanone, 1-(3-methylphenyl)- (585-74-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H227
- Precautionary statements
- 210 e-P264-P280a-P301+P312a-P403+P235-P501a · P210e-P264-P280a-P301+P312a-P403+P235-P501a
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
- HS Code
- 29143990 · 29143990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Ethanone, 1-(3-methylphenyl)-
Hazards SummaryMay cause irritation; Harmful by ingestion; [Sigma-Aldrich MSDS] See Acetophenone.
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29143990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H227
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P210e-P264-P280a-P301+P312a-P403+P235-P501a
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
Uses3'-Methylacetophenone is used in Pharmaceutical Intermediates and in Organic Intermediates.
Upstream & downstream products
Downstream products
Suppliers100 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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [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]
希瓦生物科技（广州）有限公司13268215580 · [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 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
法姆瑞斯医药科技（北京）有限公司18901358086 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [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]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
Additional notes
DefinitionChEBI: M-Methylacetophenone is an aromatic ketone.
Related reactions
32 records
Compound notes
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