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Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O3
Molecular Weight 166.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL SALICYLATE

SMILES

COC(=O)C1=C(OC)C=CC=C1

InChI

InChIKey=PFYHAAAQPNMZHO-UHFFFAOYSA-N
InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H10O3
Molecular Weight 166.1739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Responses of transformed root culture of Atropa belladonna to salicylic acid stress.
2001
Optimization of the solid-phase microextraction method in the determination of Ixodes ricinus (L.) volatiles.
2006 Feb
Synthesis of (+/-)-vibralactone.
2008 Apr 3
(S)-N-(1-Hydroxy-methyl-2-methyl-prop-yl)-2-methoxy-benzamide.
2008 May 10
Synthesis of (+/-)- and (-)-vibralactone and vibralactone C.
2008 Oct 17
Functional analysis of a tomato salicylic acid methyl transferase and its role in synthesis of the flavor volatile methyl salicylate.
2010 Apr 1
Methyl salicylate production in tomato affects biotic interactions.
2010 Apr 1
SABP2, a methyl salicylate esterase is required for the systemic acquired resistance induced by acibenzolar-S-methyl in plants.
2010 Aug 4
The herbivore-induced plant volatile methyl salicylate negatively affects attraction of the parasitoid Diadegma semiclausum.
2010 May
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:52:34 GMT 2023
Edited
by admin
on Fri Dec 15 18:52:34 GMT 2023
Record UNII
SB18J2MCQL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMETHYL SALICYLATE
Common Name English
METHYL 2-METHOXYBENZOATE
Systematic Name English
O-ANISIC ACID, METHYL ESTER
Common Name English
NSC-406256
Code English
BENZOIC ACID, 2-METHOXY-, METHYL ESTER
Common Name English
METHYL O-ANISATE
Common Name English
FEMA NO. 2717
Code English
METHYL O-METHOXYBENZOATE
FHFI  
Common Name English
METHYL SALICYLATE O-METHYL ETHER
Common Name English
METHYL SALICYLATE IMPURITY M [EP IMPURITY]
Common Name English
O-METHOXYBENZOIC ACID METHYL ESTER
Common Name English
METHYL O-METHOXYBENZOATE [FHFI]
Common Name English
METHYLSALICYLATE METHYL ETHER
Systematic Name English
O-METHOXY METHYL BENZOATE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION METHYL O-METHOXYBENZOATE
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
JECFA EVALUATION METHYL O-METHOXYBENZOATE
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID5047087
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
CAS
606-45-1
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
PUBCHEM
61151
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
JECFA MONOGRAPH
796
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
RXCUI
1923237
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-118-6
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
NSC
406256
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
DAILYMED
SB18J2MCQL
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
FDA UNII
SB18J2MCQL
Created by admin on Fri Dec 15 18:52:34 GMT 2023 , Edited by admin on Fri Dec 15 18:52:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP