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Reference substances

Reference substances

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General information

Inventory

EC number:
202-849-4
EC name:
Ethylbenzene
CAS number:
100-41-4

No inventory information available

Reference substance information

IUPAC name:
ethylbenzene
Synonyms
Names:
1-Phenylethane
AETHYLBENZOL
Benzene, ethyl
Benzene, ethyl-
EB
Ethyl benzene
Ethylbenzol
NSC 406903
Phenylethane
UN 1175
ethylbenzene
etilbenceno
phenylethane
α-Methyltoluene
Identifier:
EC name
Ethylbenzene
Identifier:
IUPAC name
Ethylbenzene
Identifier:
IUPAC name
Ethylbenzene
Identifier:
IUPAC name
ethylbenzen
Identifier:
other: InChl
1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Identifier:
other: InChl
1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Identifier:
other: Molecular formula
C8-H10
Identifier:
other: SMILES notation
CCC1=CC=CC=C1
Identifier:
other: SMILES notation
CCC1=CC=CC=C1
Identifier:
other: InChl
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Identifier:
other: InChl
InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 AuxInfo=1/0/N:8,7,4,3,5,2,6,1/E:(4,5)(6,7)/rA:8CCCCCCCC/rB:d-1;s2;d-3;s4;s1d-5;s1;s7;/rC:2.3176,-2.6784,0;3.1348,-3.9838,0;2.3123,-5.2998,0;.8225,-5.2998,0;0,-3.9838,0;.817,-2.6784,0;3.0818,-1.3212,0;2.2911,0,0;
Identifier:
other: SMILES notation
c1(ccccc1)CC
Identifier:
other: SMILES notation
c1ccccc1CC

CAS information

CAS number:
100-41-4

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
1330-20-7

Molecular and structural information

Molecular formula:
C8H10
Molecular weight:
106.165
SMILES notation:
CCc1ccccc1
InChl:
InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
Structural formula:
Chemical structure