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3-(Propylthio)-1-propene

3-(Propylthio)-1-propene structure

CAS No:
27817-67-0
Formula:
C6H12S
Chemical Name:
3-(Propylthio)-1-propene
Synonyms:
1-Propene,3-(propylthio)-;Sulfide,allyl propyl;3-(Propylthio)-1-propene;Allyl propyl sulfide;Propyl allyl sulfide;2-Propenyl propyl sulfide;Allyl n-propyl sulfide;NSC 164926;1-Prop-2-enylsulfanylpropane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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3-(Propylthio)-1-propene Basic Attributes

Molecular Weight：

116.22

Exact Mass：

116.22

EC Number：

248-673-1

UNII：

6038AN0CTJ

NSC Number：

164926

DSSTox ID：

DTXSID80182136

Characteristics

PSA：

25.3

XLogP3：

2.74

Density：

0.8642 g/cm³ @ Temp: 20 °C

Boiling Point：

66-69 °C @ Press: 16 Torr

Flash Point：

30.1±15.4 °C

Refractive Index：

1.462

Vapor Pressure：

7.43mmHg at 25°C

Safety Information

Hazard category：

Transport codes：

1993

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-(Propylthio)-1-propene Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:116.23
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:116.06597156
Monoisotopic Mass:116.06597156
Topological Polar Surface Area:25.3
Heavy Atom Count:7
Complexity:41.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Shaanxi Cuikang Pharmaceutical Technolog Contact Supplier

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ALLYL N-PROPYL SULFIDE

CAS No.: 27817-67-0

Grade: Industrial Grade

Content: 99%

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