What is the PubChem CID for 4-Ethyltoluene?

The PubChem CID for 4-Ethyltoluene is 12160.

What is the molecular formula of 4-Ethyltoluene?

The molecular formula of 4-Ethyltoluene is C9H12.

The molecular weight of 4-Ethyltoluene is 120.19 g/mol.

The IUPAC name of 4-Ethyltoluene is 1-ethyl-4-methylbenzene.

The InChI of 4-Ethyltoluene is InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3.

The InChIKey of 4-Ethyltoluene is JRLPEMVDPFPYPJ-UHFFFAOYSA-N.

The canonical SMILES of 4-Ethyltoluene is CCC1=CC=C(C=C1)C.

The CAS number of 4-Ethyltoluene is 622-96-8.

The XLogP3 value of 4-Ethyltoluene is 3.6.

4-Ethyltoluene has 1 rotatable bond.

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Name: 4-Ethyltoluene
SKU: ACM622968
Rating: 5 (1 reviews)

Catalog	ACM622968
CAS	622-96-8
Structure
Category	Environmental Standards
Synonyms	1-Ethyl-4-methylbenzene
IUPAC Name	1-ethyl-4-methylbenzene
Molecular Weight	120.19
Molecular Formula	C9H12
Canonical SMILES	CCC1=CC=C(C=C1)C
InChI Key	JRLPEMVDPFPYPJ-UHFFFAOYSA-N
Boiling Point	162ºC
Melting Point	-62ºC
Flash Point	36ºC
Purity	96%
Density	0.86
EC Number	210-761-2
RIDADR	UN 3295C 3 / PGIII
WGK Germany	3

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