Results for:
PubChem ID: 20748

Methyl Cyclohexanecarboxylate

Mass-Spectra

Compound Details

Synonymous names	Methyl cyclohexanecarboxylate 4630-82-4 Methyl cyclohexanoate Hexahydrobenzoic acid methyl ester CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER Methyl cyclohexylcarboxylate Methyl hexahydrobenzoate Cyclohexanecarboxylic Acid Methyl Ester Methyl cyclohexylformate FEMA No. 3568 methylcyclohexanecarboxylate CyclohexanecarboxylicAcidMethylEster-d11 Methyl ester of cyclohexanecarboxylic acid 96144H696Q methyl cyclohexane carboxylate vanilla carboxylate EINECS 225-050-2 BRN 1306359 AI3-04803 UNII-96144H696Q methyl cyclohexancarboxylate c-C6H11COOCH3 methylcyclohexane carboxylate SCHEMBL18552 methyl cyclohexane-carboxylate methyl-cyclohexane carboxylate 4-09-00-00017 (Beilstein Handbook Reference) DTXSID9074303 CHEBI:88845 FEMA 3568 Methyl cyclohexanecarboxylate, 98% MFCD00001458 s6299 AKOS008903582 Methyl cyclohexanecarboxylate, >=98% CS-W007704 HY-W007704 MCULE-6850082589 Cyclohexane carboxylic acid methyl ester cyclohexane-carboxylic acid methyl ester cyclohexane carboxylic acid, methyl ester AS-13138 DB-051370 METHYL CYCLOHEXANECARBOXYLATE [FHFI] NS00022207 D77686 EN300-130684 A827025 W-106094 Q27160838 Z18267125 InChI=1/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H
Microorganism:	Yes
IUPAC name	methyl cyclohexanecarboxylate
SMILES	COC(=O)C1CCCCC1
Inchi	InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
Formula	C8H14O2
PubChem ID	20748
Molweight	142.2
LogP	2.2
Atoms	10
Bonds	2
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	esters
CHEBI-ID	88845
Supernatural-ID	SN0477873

mVOC Specific Details

Boiling Point	Degree Reference 183 median
MS-Links	MS-MS Spectrum 61756 MS-MS Spectrum 61757 MS-MS Spectrum 118348 MS-MS Spectrum 118349 MS-MS Spectrum 118347 MS-MS Spectrum 61755
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP002208

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Streptomyces Platensis n/a S. platensis F-1 was isolated from a healthy plant of rice (Oryza sativa). Wan et al. 2008
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Streptomyces Platensis autoclaved wheat seeds Headspace volatiles from Streptomyces platensis F1 were collected using solid-phase micro extraction (SPME) technique. The volatile compounds produced by 1-week-old cultures grown on autoclaved wheat seeds were identified using GC-MS. no