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13327-56-5 | Propanoic acid, 3-(methylthio)-, ethyl ester
CAS No: 13327-56-5 Catalog No: AG0014J0 MDL No:MFCD00039900
Product Description
Catalog Number:
AG0014J0
Chemical Name:
Propanoic acid, 3-(methylthio)-, ethyl ester
CAS Number:
13327-56-5
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD00039900
IUPAC Name:
ethyl 3-methylsulfanylpropanoate
InChI:
InChI=1S/C6H12O2S/c1-3-8-6(7)4-5-9-2/h3-5H2,1-2H3
InChI Key:
YSNWHRKJEKWJNY-UHFFFAOYSA-N
SMILES:
CSCCC(=O)OCC
EC Number:
236-370-7
UNII:
1AVT374NII
NSC Number:
165650
FEMA Number:
3343
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Volatile sulphur compounds and pathways of L-methionine catabolism in Williopsis yeasts. | Applied microbiology and biotechnology 20120801 |
| Aroma volatile compounds from two fresh pineapple varieties in China. | International journal of molecular sciences 20120101 |
| Characteristic aroma compounds from different pineapple parts. | Molecules (Basel, Switzerland) 20110620 |
| Identification of new strawberry sulfur volatiles and changes during maturation. | Journal of agricultural and food chemistry 20110223 |
| Antimutagenic; differentiation-inducing; and antioxidative effects of fragrant ingredients in Katsura-uri (Japanese pickling melon; Cucumis melo var. conomon). | Mutation research 20101221 |
| (Methylsulfanyl)alkanoate ester biosynthesis in Actinidia chinensis kiwifruit and changes during cold storage. | Phytochemistry 20100501 |
| Branched-chain and aromatic amino acid catabolism into aroma volatiles in Cucumis melo L. fruit. | Journal of experimental botany 20100201 |
| 3-Methylthiopropionic acid ethyl ester, isolated from Katsura-uri (Japanese pickling melon, Cucumis melo var. conomon), enhanced differentiation in human colon cancer cells. | Journal of agricultural and food chemistry 20080514 |
| Investigation of volatiles in Charentais cantaloupe melons (Cucumis melo Var. cantalupensis). Characterization of aroma constituents in some cultivars. | Journal of agricultural and food chemistry 20040714 |
| Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O. | Journal of agricultural and food chemistry 20011201 |
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