U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H16O
Molecular Weight 164.2441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOPROPYL-5-METHYLANISOLE

SMILES

COC1=C(C=CC(C)=C1)C(C)C

InChI

InChIKey=LSQXNMXDFRRDSJ-UHFFFAOYSA-N
InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3

HIDE SMILES / InChI

Molecular Formula C11H16O
Molecular Weight 164.2441
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Chemical intra-Mediterranean variation and insecticidal activity of Crithmum maritimum.
2001 Mar-Apr
Chemical analysis and antifungal activity of the essential oil of Calea clematidea.
2002 Sep
Phytochemical analysis and in vitro antimicrobial activity of two Satureja species essential oils.
2004 Dec
Isolation of Crithmum maritimum L. volatile oil by supercritical carbon dioxide extraction and biological assays.
2007 Nov
Chemical composition of volatile extract and biological activities of volatile and less-volatile extracts of juniper berry (Juniperus drupacea L.) fruit.
2008 Jul 9
Essential oil composition of Thymus serpyllum cultivated in the Kumaon region of western Himalaya, India.
2009 Jul
Chemical investigation of the essential oil of Thymus linearis (Benth. ex Benth) from western Himalaya, India.
2010 Dec
Antibacterial activities of essential oils and extracts of Turkish Achillea, Satureja and Thymus species against plant pathogenic bacteria.
2010 Jan 15
Eupatorium capillifolium essential oil: chemical composition, antifungal activity, and insecticidal activity.
2010 Sep
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:14:23 GMT 2023
Edited
by admin
on Fri Dec 15 15:14:23 GMT 2023
Record UNII
VTE0C4390U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOPROPYL-5-METHYLANISOLE
Systematic Name English
NSC-404221
Code English
4-ISOPROPYL-3-METHOXYTOLUENE
Systematic Name English
2-METHOXY-4-METHYL-1-(PROPAN-2-YL)BENZENE
Systematic Name English
2-ISO PROPYL-5-METHYLANISOLE
Systematic Name English
1-METHYL-3-METHOXY-4-ISOPROPYL BENZENE [FHFI]
Common Name English
ANISOLE, 2-ISOPROPYL-5-METHYL-
Systematic Name English
BENZENE, 2-METHOXY-4-METHYL-1-(1-METHYLETHYL)-
Systematic Name English
FEMA NO. 3436
Code English
3-METHOXY-PARA-CYMENE
Systematic Name English
2-METHOXY-4-METHYL-1-(1-METHYLETHYL)BENZENE
Systematic Name English
Code System Code Type Description
FDA UNII
VTE0C4390U
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY
PUBCHEM
14104
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
214-063-9
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY
CAS
1076-56-8
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY
JECFA MONOGRAPH
1255
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY
NSC
404221
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID5047617
Created by admin on Fri Dec 15 15:14:23 GMT 2023 , Edited by admin on Fri Dec 15 15:14:23 GMT 2023
PRIMARY