Results for:
chemical Classification: furan derivated

Furan-2-ylmethyl 3-methylbutanoate

Mass-Spectra

Compound Details

Synonymous names	Furfuryl isovalerate 13678-60-9 furan-2-ylmethyl 3-methylbutanoate Furfuryl 3-methylbutanoate Isovaleric acid, furfuryl ester 2-Furanylmethyl isovalerate Butanoic acid, 3-methyl-, 2-furanylmethyl ester FEMA No. 3283 2-Furanylmethyl 3-methylbutanoate 3-Methylbutyric acid, 2-furanylmethyl ester FEMA 3283 Butanoic acid, 3-methyl-, 2-furanmethyl ester V7HH8621P6 UNII-V7HH8621P6 EINECS 237-171-8 furfuryl 3-methyl butanoate SCHEMBL1532474 DTXSID4065579 CHEBI:179566 uran-2-ylmethyl 3-methylbutanoate 2-Furylmethyl 3-methylbutanoate # FURFURYL ISOVALERATE [FHFI] LMFA07010890 Furfuryl 3-methylbutanoate, >=98%, FG DB-220745 NS00021621 Butanoic acid,3-methyl-,2-furanylmethyl ester Q27291635
Microorganism:	Yes
IUPAC name	furan-2-ylmethyl 3-methylbutanoate
SMILES	CC(C)CC(=O)OCC1=CC=CO1
Inchi	InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
Formula	C10H14O3
PubChem ID	61658
Molweight	182.22
LogP	2
Atoms	13
Bonds	5
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	esters heterocyclic compounds furan derivated aromatic compounds ethers
CHEBI-ID	179566
Supernatural-ID	SN0088012

mVOC Specific Details

Boiling Point	Degree Reference 97 median
MS-Links	MS-MS Spectrum 153661 MS-MS Spectrum 55105 MS-MS Spectrum 55104 MS-MS Spectrum 55106 MS-MS Spectrum 153662 MS-MS Spectrum 153660
Massbank-Links	Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP007082

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Chondromyces Crocatus n/a NA Schulz and Dickschat 2007 Prokaryota Chondromyces Crocatus n/a NA Dickschat et al. 2005_6
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Chondromyces Crocatus n/a n/a no

Methyl 2,5-dimethylfuran-3-carboxylate

Mass-Spectra

Compound Details

Synonymous names	6148-34-1 Methyl 2,5-dimethyl-3-furoate Methyl 2,5-dimethylfuran-3-carboxylate Methyl 2,5-dimethyl-3-furancarboxylate MFCD00010303 EINECS 228-155-1 3-Furoic acid, 2,5-dimethyl-, methyl ester MLS004257376 3-Furancarboxylic acid, 2,5-dimethyl-, methyl ester SCHEMBL3179093 DTXSID20210442 methyl 2,5-dimethyl-3-furanoate 3-carbomethoxy-2,5-dimethylfuran STL301441 AKOS000120253 Methyl2,5-dimethylfuran-3-carboxylate MCULE-1364095605 SB61266 BS-29116 SMR003082508 SY303283 Methyl 2,5-dimethylfuran-3-carboxylic acid NS00034700 EN300-15471 E75983 Methyl 2,5-dimethyl-3-furancarboxylate, 95% 2,5-dimethylfuran-3-carboxylic acid methyl ester A899823 3-Furancarboxylic acid,2,5-dimethyl-, methyl ester Z19023124 F0001-1622
Microorganism:	No
IUPAC name	methyl 2,5-dimethylfuran-3-carboxylate
SMILES	CC1=CC(=C(O1)C)C(=O)OC
Inchi	InChI=1S/C8H10O3/c1-5-4-7(6(2)11-5)8(9)10-3/h4H,1-3H3
Formula	C8H10O3
PubChem ID	80248
Molweight	154.16
LogP	1.6
Atoms	11
Bonds	2
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	esters heterocyclic compounds furan derivated aromatic compounds ethers

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Fusarium Fujikuroi NA Brock et al. 2011
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Fusarium Fujikuroi no