Results for:
PubChem ID: 8499

Methyl 4-methoxybenzoate

Mass-Spectra

Compound Details

Synonymous names	DDIZAANNODHTRB-UHFFFAOYSA-N methyl4-methoxybenzoate Methyl p-methoxybenzoate Methyl anisate METHYL 4-METHOXYBENZOATE 4-methoxy methylbenzoate METHYL PARA-ANISATE Methyl p-anisate methyl P-methoxy benzoate Methyl-p-anisate Methyl-p-Methoxy Benzoate p-Methoxybenzoic acid methyl ester ANISIC ACID METHYL ESTER 4-Methoxybenzoic acid methyl 4-(Methoxycarbonyl)anisole Methyl 4-Anisate AC1L1R4M Methyl ester of p-Methoxybenzoic acid 4-Methoxybenzoic acid methyl ester p-Anisic acid methyl ester KSC119E6R NSC7324 ACMC-209ajc ZINC87933 4-methoxy-benzoic acid methyl ester SCHEMBL231243 AS02499 ARONIS011593 RP22885 p-Anisic acid, methyl ester 2MFL7873W9 FEMA 2679 bmse010016 AN-9346 NSC 7324 ZB003141 DTXSID7047645 NSC-7324 OR011231 OR209324 SY003911 STK041805 AC-7084 CHEMBL1762668 SBB058204 LS-2900 M-5922 CHEBI:86903 UNII-2MFL7873W9 WLN: 1OVR DO1 SC-24120 KB-54413 AJ-10791 BR-46595 ST2413419 AK-46595 CJ-00703 Methyl p-anisate, 99% DSSTox_GSID_47645 ANW-17926 DSSTox_CID_27645 RARECHEM AL BF 0083 MFCD00008437 ZINC00087933 BDBM50340087 DSSTox_RID_82472 TR-003554 DB-012814 AM20050128 RTR-003554 ST45048310 AI3-00229 AKOS000501135 I01-8152 W-108443 BRN 2208571 Benzoic acid, p-methoxy-, methyl ester FT-0628647 FEMA No. 2679 LABOTEST-BB LT00782008 Tox21_302682 Methyl p-anisate, >=99%, FG F1335-0002 Benzoic acid, 4-methoxy-, methyl ester 121-98-2 MCULE-7764530900 Methyl p-anisate, >=99% (capillary GC) NCGC00256751-01 CAS-121-98-2 EINECS 204-513-2 MolPort-000-690-489 AQ-917/40232598 InChI=1/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H
Microorganism:	Yes
IUPAC name	methyl 4-methoxybenzoate
SMILES	COC1=CC=C(C=C1)C(=O)OC
Inchi	InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
Formula	C9H10O3
PubChem ID	8499
Molweight	166.176
LogP	1.82
Atoms	22
Bonds	22
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Benzenoids Esters Ethers

mVOC Specific Details

MS-Links

MS-MS Spectrum 134024 MS-MS Spectrum 134022 MS-MS Spectrum 47953 MS-MS Spectrum 47954 MS-MS Spectrum 134023 MS-MS Spectrum 47952

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Chondromyces Crocatus n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Schulz and Dickschat, 2007 Bacteria Chondromyces Crocatus Cm C2 n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Dickschat et al., 2005_6 Bacteria Chondromyces Crocatus Cm C5 n/a Dickschat et al., 2005_6 Bacteria Mycobacterium Tuberculosis n/a Respiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand) Syhre et al., 2008 Fungi Piptoporus Betulinus na Sachsenwald near Hamburg Rösecke et al., 2000 Fungi Trametes Suaveolens na near Zachersmühle, Göppingen, southern Germany Rösecke et al., 2000 Fungi Lentinellus Cochleatus Rapior et al. 2002

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Chondromyces Crocatus Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS Bacteria Chondromyces Crocatus Cm C2 Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS Bacteria Chondromyces Crocatus Cm C5 Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS Bacteria Mycobacterium Tuberculosis Loewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MP Solid phase micro-extraction (SPME), GC/MS-MS Fungi Piptoporus Betulinus na GC/MS No Fungi Trametes Suaveolens na GC/MS No Fungi Lentinellus Cochleatus hydro-destillation, solvent extraction, GC-MS no