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Methyl 3-[(2-furanylmethyl)thio]propanoate

Methyl 3-[(2-furanylmethyl)thio]propanoate structure

CAS No:
94278-26-9
Formula:
C9H12O3S
Chemical Name:
Methyl 3-[(2-furanylmethyl)thio]propanoate
Synonyms:
Propanoic acid,3-[(2-furanylmethyl)thio]-,methyl ester;Methyl 3-[(2-furanylmethyl)thio]propanoate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Pale yellow to amber coloured liquid; Earthy sweet aroma

Methyl 3-[(2-furanylmethyl)thio]propanoate Basic Attributes

Molecular Weight：

200.25

Exact Mass：

200.25

EC Number：

304-715-1

UNII：

L1387H8Y3U

HScode：

2932190090

Characteristics

PSA：

64.7

XLogP3：

2.07590

Density：

1.164 g/cm3

Boiling Point：

114-116℃/1.12mm

Flash Point：

92°(198°F)

Refractive Index：

1.513

Water Solubility：

Practically insoluble to insoluble in water|Soluble (in ethanol)

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 11 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 3-[(2-furanylmethyl)thio]propanoate Use and Manufacturing

Uses

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:200.26
XLogP3:1.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:200.05071541
Monoisotopic Mass:200.05071541
Topological Polar Surface Area:64.7
Heavy Atom Count:13
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 3-[(2-furanylmethyl)thio]propanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Methyl 3-[(2-furanylmethyl)thio]propanoate

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