Basic information
- CAS
569-41-5- Standard SMILES
Cc1cccc2cccc(C)c12- InChIKey
XAABPYINPXYOLM-UHFFFAOYSA-N- Molecular formula
- C12H12
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.09390038
Overview
1,8-dimethylnaphthalene is a dimethylnaphthalene.
Names & identifiers
- Preferred name
- 1,8-Dimethylnaphthalene
- IUPAC
- 1,8-dimethylnaphthalene
- English name
- 1,8-Dimethylnaphthalene
- Molecular formula
- C12H12
- Molecular weight
- 156.22
Names & synonyms
1,8-DIMETHYLNAPHTHALENENaphthalene, 1,8-dimethyl-UNII-22P9FW1L761,8-DMN22P9FW1L76EINECS 209-314-4DTXSID6060347CHEBI:48610RefChem:73759DTXCID8042137209-314-4InChI=1/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H
Show more names
1,8-Dimethylnaphtalene1,8-DIMETHYLNAPHTHALENE 97%1,8-Dimethylnaphthalene,98%1,8-Dimethylnaphthalene in isooctane1,8-Dimethylnaphthalene in Cyclohexane1,8-DIMETHYLNAPHTHALENE OEKANAL, 100 MG1.8-Dimethyl naphthalene 100mg [569-41-5]1,8-Dimethylnaphthalene@50 μg/mL in Toluene
XAABPYINPXYOLM-UHFFFAOYSA-N569-41-51,8-dimethyl naphthalene1,8-Dimethyl-naphthalene1,8-Dimethylnaphthalene, 95%MFCD00004040AKOS015842633FD-0040
Database identifiers
- CAS
569-41-5- PubChem CID
- 11287
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP4.26
Physicochemical properties
- Melting point
- 59 · 59-61 °C (lit.)
- Boiling point
- 270 °C · 270 °C (lit.)
- Density
- 1.003 · 1.0030
- refractive index
- 1.5956 · 1.5956 (estimate)
- form
- solid
- BRN
- 2039841 · 2039841
- Henry's Law Constant
- 2.6 · 2.6×10-2 mol/(m3Pa) at 25℃, Schröder et al. (2013)
- InChI
- 1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-8H,1-2H3
- InChIKey
- XAABPYINPXYOLM-UHFFFAOYSA-N
- SMILES
- Cc1cccc2cccc(C)c12
- LogP
- 4.26 · 4.260
- CAS DataBase Reference
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
Regulatory Information
Chemical: Naphthalene, 1,8-dimethyl-
Naphthalene, 1,8-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29029000
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses1,8-Dimethylnaphthalene has been used in the preparation of 1,4-endoperoxides via dyesensitized photo-oxygenation reaction.
General DescriptionMechanism of NO(2)(+) nitration of 1,8-dimethylnaphthalene has beeen investigated. Photolysis of the 1,8-dimethylnaphthalene/tetranitromethane charge-transfer complex affords the triad of 1,8-dimethylnaphthalene radical cation, nitrogen dioxide and trinitromethanide ion.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
Related reactions
6 records
Compound notes
Loading…