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Reference substances

Reference substances

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General information

Inventory

EC number:
248-654-8
EC name:
Benzyltoluene
CAS number:
27776-01-8

No inventory information available

Reference substance information

IUPAC name:
1-benzyl-2-methylbenzene; 1-benzyl-3-methylbenzene; 1-benzyl-4-methylbenzene
Synonyms
Names:
Benzene, methyl(phenylmethyl)-
Identifier:
CAS number
27776-01-8
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

CAS information

CAS number:
27776-01-8

Related substances

Identifiers of related substancesopen allclose all
open allclose all
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
open allclose all
Identifier:
CAS number
Identity:
620-47-3
Identifier:
IUPAC name
Identity:
1-benzyl-3-methyl-benzene
Identifier:
common name
Identity:
meta benzyltoluene
open allclose all
Identifier:
CAS number
Identity:
620-83-7
Identifier:
IUPAC name
Identity:
1-benzyl-4-methyl-benzene
Identifier:
common name
Identity:
para benzyltoluene

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