3-(Methylthio)butanal Structure

3-(Methylthio)butanal

Chemical Properties

Boiling point 62-64 °C10 mm Hg(lit.)
Density  1.001 g/mL at 25 °C(lit.)
vapor density  4.1 (vs air)
vapor pressure  60 mm Hg ( 20 °C)
refractive index  n20/D 1.476(lit.)
FEMA  3374 | 3-(METHYLTHIO)BUTANAL
FLAVIS Number 12.056 | 3-(Methylthio)butanal
Flash point 144 °F
storage temp.  2-8°C
solubility  soluble in Chloroform, Ethyl Acetate
form  clear liquid
color  Colorless to Light yellow
Odor at 0.10 % in dipropylene glycol. green musk buchu potato chip
Odor Type green
biological source synthetic
Sensitive  Air Sensitive
JECFA Number 467
Major Application flavors and fragrances
InChI 1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
InChIKey NCBDFIPMWRKPDU-UHFFFAOYSA-N
SMILES CSC(C)CC=O
LogP 1.05
CAS DataBase Reference 16630-52-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 3-(METHYLTHIO)BUTANAL
FDA UNII 1B27G5W046
EPA Substance Registry System Butanal, 3-(methylthio)- (16630-52-7)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H226-H318-H331-H341-H400
Precautionary statements P210-P273-P280-P304+P340+P311-P305+P351+P338-P308+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
RIDADR  1989
WGK Germany  3
TSCA  TSCA listed
HazardClass  3
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Inhalation
Aquatic Acute 1
Eye Dam. 1
Flam. Liq. 3
Muta. 2
NFPA 704:
2
2 0

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