CAS 55764-23-3 2,5-Dimethyl-3-furanthiol (HCID 41569)

Names & identifiers

Preferred name: 2,5-Dimethyl-3-furanthiol
IUPAC: 2,5-dimethylfuran-3-thiol
English name: 2,5-Dimethylfuran-3-thiol
Molecular formula: C6H8OS
Molecular weight: 128.19

Names & synonyms

2,5-Dimethylfuran-3-thiol2,5-Dimethyl-3-furanthiol3-Mercapto-2,5-dimethylfuran3-FURANTHIOL, 2,5-DIMETHYL-2,5-Dimethyl-3-mercaptofuranFEMA No. 34512,5-Dimethyl-3-furylmercaptanEINECS 259-800-5UNII-WCT2259X5LWCT2259X5LDTXSID10204315DIMETHYL-3-FURANTHIOL, 2,5-

Show more names

2,5-Dimethyl-3-furathiolFEMA 3451DiMethyl-3-furanth2,5-dimethyl-3-furanthio2,5-Dimethyl-3-furanthiol>

2,5-DIMETHYL-3-FURANTHIOL [FHFI]RefChem:82944DTXCID10126806DBBHCZMXKBCICL-UHFFFAOYSA-NInChI=1/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H55764-23-3MFCD008010262,5-dimethyl-furan-3-thiol

Database identifiers

CAS: 55764-23-3
PubChem CID: 41569
DTXSID: DTXSID10204315
UNII: WCT2259X5L
EC Number: 259-800-5
Nikkaji: J75.520F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 14.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 84.6

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.138-1.144

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

Insoluble in water,soluble in organic solvents,oils

Miscible at room temperature (in ethanol)

Boiling Point · 2 items

175.00 to 177.00 °C. @ 760.00 mm Hg

70 °C (30 mm Hg)

Refractive Index1.500-1.520

Physicochemical properties

Boiling point: 175 · 175-177 °C
Density: 1.05 · 1.05
refractive index: 1.505 · 1.505-1.515
FEMA: 3451 · 3451 | 2,5-DIMETHYL-3-FURANTHIOL
FLAVIS Number: 13.071 · 13.071 | 2,5-Dimethylfuran-3-thiol
Flash point: 54 °C · 54 °C
storage temp.: 2 · Sealed in dry,2-8°C
pka: 6.43 · 6.43±0.50(Predicted)
form: clear liquid
color: Light yellow to Brown
Odor: 0.1 % · at 0.10 % in propylene glycol. lamb meaty sulfurous
Odor Type: sulfurous
Water Solubility: insoluble
JECFA Number: 1063 · 1063
InChI: 1S/C6H8OS/c1-4-3-6(8)5(2)7-4/h3,8H,1-2H3
InChIKey: DBBHCZMXKBCICL-UHFFFAOYSA-N
SMILES: Cc1cc(S)c(C)o1
LogP: 2.6 · 2.60
Substances Added to Food (formerly EAFUS): 2 · 2,5-DIMETHYL-3-FURANTHIOL
CAS DataBase Reference: 55764 · 55764-23-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 2259 X5L · WCT2259X5L
NIST Chemistry Reference: 3 · 3-Furanthiol, 2,5-dimethyl-(55764-23-3)
UNSPSC Code: 12352105 · 12352105
NACRES: 21 · NA.21
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H302
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P370+P378-P403+P235-P501
Hazard Codes: T,Xn
Risk Statements: 36 · 36/37/38-23/24/25-10-22-2017/10/22
Safety Statements: 45 · 45-36/37/39-16-15
RIDADR: 3336 · 3336
WGK Germany: 3 · WGK 3
RTECS: 6230000 · LU6230000
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1548 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 3-Furanthiol, 2,5-dimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

3-Furanthiol, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

Safety data

wgk: WGK 3
rtecs: LU6230000
ridadr: 3336
hs_code: 29321900
risk_code: 36/37/38-23/24/25-10-22-2017/10/22
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: T,Xn
safety_code: 45-36/37/39-16-15
hazard_class: 3
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H226-H302
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P370+P378-P403+P235-P501

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Applications

Uses2,5-Dimethyl-3-furanthiol is a food additive that has been reported in the literature to be used in the preparation of chicken oil flavoring, which has a very good meaty aroma.