HCID7363

2-Furanmethanethiol

furan-2-ylmethanethiol

C5H6OS114.17 g/molCAS 98-02-2

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IDENTITY

结构与身份

标准SMILES: SCc1ccco1
InChIKey: ZFFTZDQKIXPDAF-UHFFFAOYSA-N
分子式: C5H6OS
平均分子量: 114.17 g/mol
单同位素质量: 114.01393598

COMPUTED

结构计算性质

已同步

XLogP: 1.3
极性表面积: 14.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 7
形式电荷: 0
复杂度: 56

PROPERTIES

实验与物化性质

Density

1.125-1.135 (20 °C)

Solubility

5000 mg/L @ 20 °C (exp)

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Boiling Point

263.00 to 265.00 °C. @ 17.00 mm Hg

154-155 °C

Melting Point

113.00 to 115.00 °C. @ 760.00 mm Hg

Refractive Index

1.527-1.542

Physical Description

Colourless oily liquid; extremely powerful and diffusive odour which on dilution becomes agreeable, coffee-like, caramellic-burnt, sweet

Kovats Retention Index

883；891；883；883；901；888；889；887；881；892；894；907；900；901；903；878；878；883；890；892

907；915；911；911；907；928；914；915；908；912；915；918；918；918；909；913；909；909；910；909

1439；1417；1432；1437；1425；1435；1443；1425；1424；1427；1430；1423；1430；1430；1431；1420；1431；1431；1414；1431

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1702) of reports.

Warning

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

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

Aggregated GHS information provided per 1702 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 1702 reports by companies.；There are 4 notifications provided by 1701 of 1702 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

Regulatory Information

Chemical: 2-Furanmethanethiol

Regulation (EC) No 1831/2003 (amended)

2-Furanmethanethiol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information

IMAP assessments - 2-Furanmethanethiol: Environment tier I assessment

Hazard Classes and Categories

Flam. Liq. 3 (> 99.9%)

Flammable liquids - Category 3

REGULATORY

法规信息

Regulatory Information

Chemical: 2-Furanmethanethiol

Regulation (EC) No 1831/2003 (amended)

2-Furanmethanethiol: Does not have an individual approval but may be used under an appropriate group standard

PHARMACOLOGY

药理信息

MeSH Pharmacological Classification

Substances added to foods and medicine to improve the taste.

Cellular Locations

Cytoplasm；Extracellular

USES

用途与制造

Use Classification

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information

2-Furanmethanethiol: ACTIVE

ALIASES

名称与别名

共 76 条

Furfuryl mercaptan98-02-22-FURANMETHANETHIOL2-Furylmethanethiol2-Furylmethyl mercaptan2-Furfurylmercaptan2-FurfurylthiolFEMA No. 2493DTXSID705265429W096TCPGNSC-41142DTXCID4031227RefChem:607800202-628-2Furfuryl thiolfuran-2-yl-methanethiolfuran-2-ylmethanethiolFurfurylmercaptan2-(Mercaptomethyl)furan175236-33-6

REACTIONS