1.0
2010-04-08 22:05:46 UTC
2019-11-26 02:59:04 UTC
FDB003371
Benzyl methyl sulfide
Benzyl methyl sulfide is a flavouring agent. It is found in animal foods, specifically cooked pork.
((methylthio)Methyl)-benzene
((methylthio)methyl)benzene
[(methylsulfanyl)methyl]benzene
[(methylthio)Methyl]-benzene
[(Methylthio)methyl]benzene, 9CI
α-(methylthio)toluene
1-Phenyl-2-thiapropane
Alpha-(methylthio)toluene
Benzene, ((methylthio)methyl)-
Benzene, [(methylthio)methyl]-
Benzyl methyl sulphide
Benzylmethylsulphide
FEMA 3597
Methyl benzyl sulfide
Methylsulfanyl-methyl-benzene
Methylthiomethylbenzene
N-cyclohexylformamide
PTF
Sulfide, benzyl methyl
Sulfide, benzyl methyl (8CI)
C8H10S
138.23
138.05032101
[(methylsulfanyl)methyl]benzene
benzene, (methylthio)methyl -
766-92-7
CSCC1=CC=CC=C1
InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
OFQPKKGMNWASPN-UHFFFAOYSA-N
belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
Benzene and substituted derivatives
Organic compounds
Benzenoids
Benzene and substituted derivatives
Aromatic homomonocyclic compounds
Dialkylthioethers
Hydrocarbon derivatives
Sulfenyl compounds
Aromatic homomonocyclic compound
Dialkylthioether
Hydrocarbon derivative
Monocyclic benzene moiety
Organosulfur compound
Sulfenyl compound
Thioether
Liquid
logp
2.73
logs
-3.02
solubility
1.33e-01 g/l
melting_point
-30 oC
logp
2.84
iupac
[(methylsulfanyl)methyl]benzene
average_mass
138.23
mono_mass
138.05032101
smiles
CSCC1=CC=CC=C1
formula
C8H10S
inchi
InChI=1S/C8H10S/c1-9-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
inchikey
OFQPKKGMNWASPN-UHFFFAOYSA-N
polar_surface_area
0
refractivity
43.55
polarizability
16.02
rotatable_bond_count
2
acceptor_count
0
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
4344
Specdb::MsIr
4345
Specdb::CMs
14510
Specdb::CMs
29422
Specdb::CMs
100713
Specdb::CMs
170897
Specdb::MsMs
53751
Specdb::MsMs
53752
Specdb::MsMs
53753
Specdb::MsMs
133605
Specdb::MsMs
133606
Specdb::MsMs
133607
Specdb::MsMs
3041047
Specdb::MsMs
3041048
Specdb::MsMs
3041049
Specdb::MsMs
3102413
Specdb::MsMs
3102414
Specdb::MsMs
3102415
HMDB31314
PTF
#<Reference:0x00005556741f63d0>
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Milk (Cow)
Type 2
specific
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823
beef
burnt
chicken
lamb
pork
roasted