Basic information
- CAS
6165-52-2- Standard SMILES
Cc1ccc(C(C)c2ccccc2)c(C)c1- InChIKey
JOUBGGHXBLOLFY-UHFFFAOYSA-N- Molecular formula
- C16H18
- Average molar mass
- 210.31 g/mol
- Monoisotopic mass
- 210.14085058
Names & identifiers
- Preferred name
- 1-Phenyl-1-(2,4-xylyl)ethane
- IUPAC
- 2,4-dimethyl-1-(1-phenylethyl)benzene
- English name
- 4-(1-phenylethyl)-m-xylene
- Molecular formula
- C16H18
- Molecular weight
- 210.31
Names & synonyms
2,4-dimethyl-1-(1-phenylethyl)benzene4-(1-Phenylethyl)-m-xyleneBenzene, 2,4-dimethyl-1-(1-phenylethyl)-1-phenyl-1-(2,4-xylyl)ethane1,3-Dimethyl-4-(1-phenylethyl)benzeneUNII-YYX3LWG946EINECS 228-202-6YYX3LWG946J3.084H1-phenyl-1-(2,4-dimethylphenyl)ethaneDTXSID508842314-(.ALPHA.-METHYLBENZYL)-M-XYLENE
Show more names
4-(α-Methylbenzyl)-m-xylene1-(1-Phenylethyl)-2,4-dimethylbenzene
ETHANE, 1-PHENYL-1-(2,4-XYLYL)-4-(alpha-Methylbenzyl)-m-xyleneRefChem:197089DTXCID2010236856165-52-2Benzene,2,4-dimethyl-1-(1-phenylethyl)-SCHEMBL439493SCHEMBL29486481
Database identifiers
- CAS
6165-52-2- PubChem CID
- 93022
- DTXSID
DTXSID50884231- UNII
- YYX3LWG946
- EC Number
- 228-202-6
- Nikkaji
- J3.084H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- -54 °C · -54 °C
- Boiling point
- 146 °C · 146 °C(Press: 5 Torr)
- Density
- 0.981 g/cm3 · 0.981 g/cm3
- Henry's Law Constant
- 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C16H18/c1-12-9-10-16(13(2)11-12)14(3)15-7-5-4-6-8-15/h4-11,14H,1-3H3
- InChIKey
- JOUBGGHXBLOLFY-UHFFFAOYSA-N
- SMILES
- C1(C(C2=CC=CC=C2)C)=CC=C(C)C=C1C
- FDA UNII
- 3 LWG946 · YYX3LWG946
- EPA Substance Registry System
- 4 · 4-(1-phenylethyl)-m-xylene (6165-52-2)
- 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.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: Benzene, 2,4-dimethyl-1-(1-phenylethyl)-
Benzene, 2,4-dimethyl-1-(1-phenylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Toxicology
EPA Provisional Peer-Reviewed Toxicity Values
1-Phenyl-1-(2,4-dimethylphenyl)-ethane (PXE)
PDF Document
Inadequate information to assess carcinogenic potential
2023
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 2,4-dimethyl-1-(1-phenylethyl)-: ACTIVE
Suppliers15 total
上海策嵘生物科技有限公司[email protected]
淄博茵泰医药科技有限公司18766946537 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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