Methane, di-o-tolyl-
PubChem CID
569074
Structure
Molecular Formula
Synonyms
- 1634-74-8
- Methane, di-o-tolyl-
- Di o-tolylmethane
- Benzene, 1,1'-methylenebis[2-methyl-
- 1-methyl-2-[(2-methylphenyl)methyl]benzene
Molecular Weight
196.29 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-03-27
- Modify:2025-01-18
See also: 1,3-Diphenylpropane (annotation moved to).
Chemical Structure Depiction
1-methyl-2-[(2-methylphenyl)methyl]benzene
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C15H16/c1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ZZFUVPDOJGQTKI-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1=CC=CC=C1CC2=CC=CC=C2C
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H16
Computed by PubChem 2.2 (PubChem release 2024.11.20)
1335-47-3
- 1634-74-8
- Methane, di-o-tolyl-
- Di o-tolylmethane
- Benzene, 1,1'-methylenebis[2-methyl-
- 1-methyl-2-[(2-methylphenyl)methyl]benzene
- 2,2/'-Methylenebistoluene
- Di-o-tolymethane
- Bis(o-tolyl)methane
- Dio-tolylmethane
- Di-o-Tolylmethane
- MFCD29036484
- 2-methylbenzyltoluene
- 2,2'-Dimethyldiphenylmethane
- DTXSID40928153
- 1,1'-Methylenebis(2-methylbenzene)
- HS-4658
- 1-Methyl-2-(2-methylbenzyl)benzene #
- Benzene, 1,1'-methylenebis*2-methyl-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
196.29 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
4.6
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
196.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
196.125200510 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
0 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
164
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Standard non-polar
1634 , 1636
NIST Number
152948
Library
Main library
Total Peaks
99
m/z Top Peak
196
m/z 2nd Highest
181
m/z 3rd Highest
104
Thumbnail
NIST Number
68083
Library
Replicate library
Total Peaks
59
m/z Top Peak
104
m/z 2nd Highest
196
m/z 3rd Highest
181
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
1,3-Diphenylpropane (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ZZFUVPDOJGQTKI-UHFFFAOYSA-N
- EPA DSSTox1,1'-Methylenebis(2-methylbenzene)https://comptox.epa.gov/dashboard/DTXSID40928153CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-lawBenzene, 1,1'-methylenebis[2-methyl-http://www.nist.gov/srd/nist1a.cfm
- SpectraBaseBENZENE, 1,1'-METHYLENEBIS[2-METHYL-https://spectrabase.com/spectrum/E7bRpWiM0MX1-Methyl-2-(2-methylbenzyl)benzenehttps://spectrabase.com/spectrum/62OYb7UbGp4
- Springer Nature
- SpringerMaterialsmethane, di-o-tolyl-https://materials.springer.com/substanceprofile/docs/smsid_emvxnwsfwwvkdejm
- Wikidata1,1'-Methylenebis(2-methylbenzene)https://www.wikidata.org/wiki/Q82902895
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- PATENTSCOPE (WIPO)SID 403411141https://pubchem.ncbi.nlm.nih.gov/substance/403411141
CONTENTS