m-Propyltoluene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H14
Molecular Weight	134.2182
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of m-Propyltoluene

Structure Search

SMILES

CCCC1=CC=CC(C)=C1

InChI

InChIKey=QUEBYVKXYIKVSO-UHFFFAOYSA-N

InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Title	Date	PubMed
Prevalence of the alkyl/phenyl-folded conformation in benzylic compounds C6H5CH2-X-R (X=O, CH2, CO, S, SO, SO2): significance of the CH/pi interaction as evidenced by high-level ab initio MO calculations.	2003-02-03	12569468

Name

Type

Language

NSC-73974

Preferred Name

English

m-Propyltoluene

Common Name

English

BENZENE, 1-METHYL-3-PROPYL-

Systematic Name

English

3-Propyltoluene

Common Name

English

1-Methyl-3-propylbenzene

Systematic Name

English

Code System Code Type Description

FDA UNII

I0ZJ4I1KOV

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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EPA CompTox

DTXSID4061468

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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ECHA (EC/EINECS)

214-040-3

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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NSC

73974

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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PUBCHEM

14092

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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CAS

1074-43-7

Created by admin on Mon Mar 31 20:09:34 GMT 2025 , Edited by admin on Mon Mar 31 20:09:34 GMT 2025

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SUBSTANCE RECORD


					I0ZJ4I1KOV

m-Propyltoluene