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3-Methylthiopropyl isothiocyanate

3-Methylthiopropyl isothiocyanate structure

CAS No:
505-79-3
Formula:
C5H9NS2
Chemical Name:
3-Methylthiopropyl isothiocyanate
Synonyms:
Propane,1-isothiocyanato-3-(methylthio)-;Isothiocyanic acid,3-(methylthio)propyl ester;1-Isothiocyanato-3-(methylthio)propane;3-Methylthiopropyl isothiocyanate;Iberverin;3-Methylsulfanylpropylisothiocyanate;1-Isothiocyanato-3-(methylsulfanyl)propane;1-Isothiocyanato-3-methylsulfanylpropane
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

3-Methylthiopropyl isothiocyanate has a characteristic radish, irritating odor Colorless liquid

Colourless to yellow liquid; Raddish-like, irritating aroma

3-Methylthiopropyl isothiocyanate Basic Attributes

Molecular Weight：

147.26

Exact Mass：

147.26

EC Number：

208-020-3

UNII：

YTT13BN94Z

DSSTox ID：

DTXSID3047132

HScode：

2930909090

Characteristics

PSA：

69.8

XLogP3：

1.84230

Appearance：

Colourless to yellow liquid; Raddish-like, irritating aroma

Density：

1.102 g/mL at 25 °C(lit.)

Boiling Point：

116 °C @ Press: 9 Torr

Flash Point：

>230 °F

Refractive Index：

n20/D 1.564(lit.)

Water Solubility：

Insoluble in water

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

23/24/25-36/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Danger|H301 (92.81%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 1446 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

iberverin

3-Methylthiopropyl isothiocyanate Use and Manufacturing

Manufacturing Info：

Propane, 1-isothiocyanato-3-(methylthio)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:147.3
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:147.01764164
Monoisotopic Mass:147.01764164
Topological Polar Surface Area:69.8
Heavy Atom Count:8
Complexity:86.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Methylthiopropyl isothiocyanate

Greenbo Biochem Contact Supplier

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3-(Methylthio)propyl isothiocyanate 99% high purity certified Professional producer Greenbo

CAS No.: 505-79-3

Grade: Food Grade

Content: 99%

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3-(Methylthio)propyl isothiocyanate

CAS No.: 505-79-3

Content: 99.00%

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Guide of 3-Methylthiopropyl isothiocyanate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Methylthiopropyl isothiocyanate

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