Basic information
- CAS
72927-80-1- Standard SMILES
Cc1cccc(CC=O)c1- InChIKey
YGHDVPXYUQDBER-UHFFFAOYSA-N- Molecular formula
- C9H10O
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.07316494
Names & identifiers
- Preferred name
- Benzeneacetaldehyde, 3-methyl-
- IUPAC
- 2-(3-methylphenyl)acetaldehyde
- English name
- 3-TOLYLACETALDEHYDE
- Molecular formula
- C9H10O
- Molecular weight
- 134.18
Names & synonyms
Benzeneacetaldehyde, 3-methyl-3-MethylbenzeneacetaldehydeDTXSID9072652RefChem:117353DTXCID504740572927-80-1(3-Methylphenyl)acetaldehyde2-(3-methylphenyl)acetaldehydeBenzeneacetaldehyde,3-methyl-2-(m-Tolyl)acetaldehyde3-TOLYLACETALDEHYDEMFCD02261773
Show more names
2-(m-tolyl)acetaldehyd
M-TOLYL-ACETALDEHYDEm-Tolylacetaldehydem-Tolylacetaldehyd2-(3-methylphenyl)ethanalSCHEMBL910666SCHEMBL1124900SCHEMBL2932421SCHEMBL5318191
Database identifiers
- CAS
72927-80-1- PubChem CID
- 175272
- DTXSID
DTXSID9072652- Nikkaji
- J447.255A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 94 °C · 94 °C(Press: 10 Torr)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Benzeneacetaldehyde, 3-methyl- (72927-80-1)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneacetaldehyde, 3-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海庞通生物科技有限公司13636417373 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Related reactions
2 records
Compound notes
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