ChemicalBook--->CAS DataBase List--->13678-68-7

13678-68-7

13678-68-7 Structure

13678-68-7 Structure
IdentificationMore
[Name]

Furfuryl thioacetate
[CAS]

13678-68-7
[Synonyms]

Ethanethioic acid S-(2-furanylmethyl) ester
FEMA 3162
FURFURYL THIOACETATE
S-FURFURYL ACETOTHIOATE
S-FURFURYL THIOACETATE
THIOACETIC ACID S-FURFURYL ESTER
Acetic acid, thio-, S-furfuryl ester
Ethanethioicacid,S-(2-furanylmethyl)ester(9CI)
Furfurylthiol acetate
S-(2-Furylmethyl) ethanethioate
S-furfuryl ethanethioate
FURFURYL THIOACETATE 98+%
FURFURYL THIOACETATE FEMA NO.3162
S-(2-furfuryl)-ethanethioate,S-(2-furfuryl)-ethanethioate,S-(2-furanylmethyl)esterethanethioicacid
Furfuryl tioacetate
(Furan-2-yl)methanethiol acetate
Thioacetic acid S-(2-furanylmethyl) ester
Thioacetic acid S-(2-furylmethyl) ester
[EINECS(EC#)]

237-173-9
[Molecular Formula]

C7H8O2S
[MDL Number]

MFCD00010083
[Molecular Weight]

156.2
[MOL File]

13678-68-7.mol
Chemical PropertiesBack Directory
[Appearance]

dark brown liquid
[Boiling point ]

90-92 °C/12 mmHg (lit.)
[density ]

1.171 g/mL at 25 °C(lit.)
[FEMA ]

3162
[refractive index ]

n20/D 1.526(lit.)
[Fp ]

199 °F
[storage temp. ]

2-8°C
[form ]

Liquid
[color ]

Dark brown
[Specific Gravity]

1.171
[Odor]

at 0.10 % in propylene glycol. sulfury burnt roasted nutty coffee
[biological source]

synthetic
[Odor Type]

sulfurous
[JECFA Number]

1074
[Major Application]

flavors and fragrances
[InChI]

1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
[InChIKey]

LQOUTUIIYXYBQW-UHFFFAOYSA-N
[SMILES]

CC(SCC1=CC=CO1)=O
[LogP]

1.66
[CAS DataBase Reference]

13678-68-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanethioic acid, S-(2-furanylmethyl) ester(13678-68-7)
[EPA Substance Registry System]

13678-68-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P280-P304+P340+P312-P337+P313-P403+P233
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

9
[HS Code ]

29321900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

dark brown liquid
[Chemical Properties]

Furfuryl thioacetate has a burnt, roasted odor.
[Occurrence]

Reported found as a constituent in coffee
[Uses]

S-Furfuryl thioacetate (S-2-furfuryl thioacetate) has been used in lipase (from Candida rugosa) mediated synthesis of 2-furfurylthiol.
[Uses]

2-Furfurylthiol Acetate is a sulfur-substituted furan derivative used as flavouring agent. 2-Furfurylthiol Acetate is a precursor to furfurylmercaptan which is very prone to oxidation to the disulfide. We will provide a detailed procedure for the preparation of the thiol from the thioacetate with spectral data upon request.
[Uses]

Furfuryl thioacetate is a sulfur-substituted furan derivative used as flavouring agent. e. We will provide a detailed procedure for the preparation of the thiol from the thioacetate with spectral data upon request.
[Definition]

ChEBI: Furfuryl thioacetate is a heteroarene.
[Taste threshold values]

Taste characteristics at 1 ppm: roasted, alliaceous, garlic, coffee, meaty, savory and sulfureous.
[General Description]

Furfuryl thioacetate is a sulfur-containing flavor compound mainly found in coffee.
Spectrum DetailBack Directory
[Spectrum Detail]

Furfuryl thioacetate(13678-68-7)1HNMR
Furfuryl thioacetate(13678-68-7)IR
Furfuryl thioacetate(13678-68-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

S-Furfuryl thioacetate, 99%(13678-68-7)
[Alfa Aesar]

S-Furfuryl thioacetate, 99%(13678-68-7)
[Sigma Aldrich]

13678-68-7(sigmaaldrich)
[TCI AMERICA]

S-Furfuryl Thioacetate,>97.0%(GC)(13678-68-7)
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