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Propyl sulfide

Propyl sulfide structure

CAS No:
111-47-7
Formula:
C6H14S
Chemical Name:
Propyl sulfide
Synonyms:
Propane,1,1′-thiobis-;Propyl sulfide;1,1′-Thiobis[propane];Dipropyl sulfide;Dipropyl thioether;4-Thiaheptane;Propyl monosulfide;Di-n-propyl sulfide;n-Propyl sulfide;Di-n-propyl thioether;NSC 78429;1-Propylsulfanyl-propane;1-(Propylsulfanyl)propane
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Liquid

Dipropyl sulfide is an aliphatic sulfide.

Propyl sulfide Basic Attributes

Molecular Weight：

118.24

Exact Mass：

118.24

BRN：

1719002

EC Number：

203-873-8

UNII：

Q6J7GNX8F9

NSC Number：

78429

DSSTox ID：

DTXSID3021934

HScode：

29309070

Characteristics

PSA：

25.3

XLogP3：

3.01

Appearance：

Liquid

Density：

0.83762 g/cm³ @ Temp: 20 °C

Melting Point：

-102.5 °C

Boiling Point：

142.9 °C

Flash Point：

83 °F

Refractive Index：

1.447

Water Solubility：

soluble in water 351mg/L @ 25°C.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

6.45 mmHg

Flammability characteristics：

Flammable; combustion products emit toxic sulfide gas

Explosive limit：

1-51%(V)

OH：

2.00e-11 cm3/molecule*sec

Henrys Law Constant：

0.00 atm-m3/mole

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-36/37/38-36

safety instructions：

26-36-39-16-7/9

Marks：

Xi,F

Storage features：

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Hazard note：

Harmful/Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H302 (96.63%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1424 companies from 8 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1,1'-thiobispropane

Propyl sulfide Use and Manufacturing

Methods of Manufacturing

Derived from bromine propane and sodium sulfide. Propylene bromide was slowly added to the sodium sulfide solution dissolved by heating with ethanol, and refluxed for 7 hours after the addition. During the feeding reaction, the stirring should not be too fast. Cool to room temperature, pour into 25% sodium chloride solution for salting out, mix thoroughly and let stand for layering. The oil layer was separated, dried over anhydrous sodium sulfate, and then distilled, and the distillate collected at 142-144°C was dipropyl sulfide. The yield is about 70%.

Uses

A garlic organosulfide

Manufacturing Info：

Propane, 1,1'-thiobis-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:118.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:118.08162162
Monoisotopic Mass:118.08162162
Topological Polar Surface Area:25.3
Heavy Atom Count:7
Complexity:23.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Propanol

Propane

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Guide of Propyl sulfide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Propyl sulfide

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