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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
1-benzyl-2-methylbenzene; 1-benzyl-3-methylbenzene; 1-benzyl-4-methylbenzene

Inventory

EC number:
248-654-8
EC name:
Benzyltoluene
CAS number:
27776-01-8
CAS number:
27776-01-8
Synonyms
Names:
Benzene, methyl(phenylmethyl)-
Identifier:
IUPAC name
Reaction mass of 1-benzyl-2-methylbenzene and 1-benzyl-3-methylbenzene and 1-benzyl-4-methylbenzene
Identifier:
IUPAC name
benzyltoluene
Identifier:
common name
benzyltoluene
Reaction mass of 1-benzyl-2-methylbenzene and 1-benzyl-3-methylbenzene and 1-benzyl-4-methylbenzene

Molecular and structural information

Molecular formula:
C14H14
Molecular weight:
182.261
SMILES notation:
Cc1ccccc1Cc2ccccc2
Cc1ccc(cc1)Cc2ccccc2
c2ccccc2Cc(ccc1)cc1C
InChl:
InChI=1/C14H14/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13/h2-10H,11H2,1H3
InChI=1S/C14H14/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI=1/C14H14/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
Structural formula:
Chemical structure

Related substances

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Identifier:
EC name
Identity:
o-benzyltoluene
Identifier:
EC number
Identity:
211-927-7
Identifier:
CAS number
Identity:
713-36-0
Identifier:
IUPAC name
Identity:
1-benzyl-2-methyl-benzene
Identifier:
common name
Identity:
ortho benzyltoluene
Identifier:
CAS number
Identity:
620-47-3
Identifier:
IUPAC name
Identity:
1-benzyl-3-methyl-benzene
Identifier:
common name
Identity:
meta benzyltoluene
Identifier:
CAS number
Identity:
620-83-7
Identifier:
IUPAC name
Identity:
1-benzyl-4-methyl-benzene
Identifier:
common name
Identity:
para benzyltoluene