Basic information
- CAS
2131-41-1- Standard SMILES
Cc1ccc(C)c2c(C)cccc12- InChIKey
FSAWRQYDMHSDRN-UHFFFAOYSA-N- Molecular formula
- C13H14
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.10955045
Overview
1,4,5-Trimethyl-naphtalene is a member of naphthalenes.
Names & identifiers
- Preferred name
- 1,4,5-Trimethylnaphthalene
- IUPAC
- 1,4,5-trimethylnaphthalene
- English name
- 1,4,5-TRIMETHYLNAPHTHALENE
- Molecular formula
- C13H14
- Molecular weight
- 170.25
Names & synonyms
1,4,5-TRIMETHYLNAPHTHALENE2131-41-1Naphthalene, 1,4,5-trimethyl-EINECS 218-356-2DTXSID50175575UNII-E310186658E310186658RefChem:72978DTXCID9098066218-356-2FSAWRQYDMHSDRN-UHFFFAOYSA-NMFCD00216209
Show more names
naphthalene,1,4,5-trimethyl-1,4,5-TRIMETHYLNAPHTHALENE 95+%
1,4,5-Trimethyl-naphtalene1,4,5-Trimethyl-NaphthaleneSCHEMBL598068SCHEMBL5251317CHEMBL1797282SCHEMBL29378790CHEBI:89921MSK001153
Database identifiers
- CAS
2131-41-1- PubChem CID
- 16478
- DTXSID
DTXSID50175575- ChEMBL
CHEMBL1797282- ChEBI
CHEBI:89921- UNII
- E310186658
- EC Number
- 218-356-2
- Nikkaji
- J298.718J
Properties
Computed structural properties
- XLogP
- 4.9
- 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
SpringerMaterials PropertiesDensity
LogP4.48
Physicochemical properties
- Melting point
- 60 °C · 60°C
- Boiling point
- 145 °C · 145 °C / 12mmHg
- Density
- 1.0006 · 1.0006 (estimate)
- refractive index
- 1.607 · 1.6070 (estimate)
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- 2.1 mg/L · 2.1mg/L(25 ºC)
- Henry's Law Constant
- 1.8 · 1.8×10-2 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- CAS DataBase Reference
- 2131 · 2131-41-1
- FDA UNII
- 310186658 · E310186658
- Risk Statements
- 36 · 36/37/38
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
- hs_code
- 2902.90.9000
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Upstream & downstream products
Downstream products
Suppliers26 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
卓瑞宁（上海）科技有限公司18163338995 18163338995 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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