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Reference substances

Reference substances

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General information

Inventory

EC number:
203-604-4
EC name:
Mesitylene
CAS number:
108-67-8

No inventory information available

Reference substance information

IUPAC name:
1,3,5-trimethylbenzene
Synonyms
Names:
Benzene, 1,3,5-trimethyl-
Mesitylene
Identifier:
EC number
203-604-4
Identifier:
IUPAC name
1,3,5-Trimethylbenzene
Identifier:
IUPAC name
Mesitylene
Identifier:
IUPAC name
mesitylene
Identifier:
other: SMILES notation
CC1=CC(C)=CC(C)=C1
Identifier:
other: SMILES notation
Cc1cc(C)cc(C)c1
Identifier:
other: InChl
InChI=1/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
Identifier:
other: InChl
InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 AuxInfo=1/0/N:7,8,9,4,5,1,6,2,3/E:(1,2,3)(4,5,6)(7,8,9)/rA:9CCCCCCCCC/rB:d-1;s1;s2;d-3;d-4s5;s6;s2;s3;/rC:2.6591,-4.6308,0;4.0019,-3.8526,0;1.3268,-3.8526,0;3.9965,-2.3128,0;1.3216,-2.3128,0;2.6537,-1.54,0;2.6537,0,0;5.3235,-4.62,0;0,-4.62,0;

CAS information

CAS number:
108-67-8

Molecular and structural information

Molecular formula:
C9H12
Molecular weight:
120
SMILES notation:
CC1=CC(=CC(=C1)C)C
InChl:
1S/C9H12/C1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
Structural formula:
Chemical structure