Basic information
- CAS
829-26-5- Standard SMILES
Cc1ccc2cc(C)c(C)cc2c1- InChIKey
UNBZRJCHIWTUHB-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Names & identifiers
- Preferred name
- 2,3,6-Trimethylnaphthalene
- IUPAC
- 2,3,6-trimethylnaphthalene
- English name
- 2,3,6-Trimethylnaphthalene
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
2,3,6-TRIMETHYLNAPHTHALENE829-26-5Naphthalene, 2,3,6-trimethyl-UNII-0WHV15633Q0WHV15633QEINECS 212-588-8NSC 11848NSC-11848AI3-17611DTXSID8061189RefChem:81454Naphthalene, 2,3,6trimethyl
Show more names
DTXCID2048321Naphthalene, 2,3,6-trimethyl-(8CI)Naphthalene, 2,3,6-trimethyl-(8CI)(9CI)212-588-8InChI=1/C13H14/c1-9-4-5-12-7-10(2)11(3)8-13(12)6-9/h4-8H,1-3HUNBZRJCHIWTUHB-UHFFFAOYSA-NNSC118482,6-Trimethylnaphthalene
Database identifiers
- CAS
829-26-5- PubChem CID
- 13237
- DTXSID
DTXSID8061189- UNII
- 0WHV15633Q
- EC Number
- 212-588-8
- Nikkaji
- J102.298I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthalenes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.7
Vapor Pressure0.00252 [mmHg]
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
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Suppliers6 total
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…