EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Human Neurotoxin ; Drinking Water Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	34X0W8052F
EPA CompTox	DTXSID6021402

Keyword(s):

Food Contact Chemicals ; Human Neurotoxin ; Drinking Water Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

34X0W8052F

EPA CompTox

DTXSID6021402


InChI Key	GWHJZXXIDMPWGX-UHFFFAOYSA-N
Smiles	Cc1ccc(C)c(C)c1
InChI	InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

InChI Key

GWHJZXXIDMPWGX-UHFFFAOYSA-N

Smiles

Cc1ccc(C)c(C)c1

InChI

InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3

Property Name	Value
Molecular Formula	C9H12
Molecular Weight	120.09
AlogP	2.61
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C9H12

Molecular Weight

120.09

AlogP

2.61

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	95-63-6
NORMAN SUSDAT
FDA SRS	34X0W8052F
PubChem	7247
ChemSpider	6977.0

Resources

Reference

CAS NUMBER

95-63-6

NORMAN SUSDAT

FDA SRS

34X0W8052F

PubChem

7247

ChemSpider

6977.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

1,2,4-TRIMETHYLBENZENE

Structure

Physicochemical Descriptors

Cross References