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2-Pentylthiophene

2-Pentylthiophene structure

CAS No:
4861-58-9
Formula:
C9H14S
Chemical Name:
2-Pentylthiophene
Synonyms:
Thiophene,2-pentyl-;2-Pentylthiophene;2-n-Pentylthiophene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear, colorless liquid; blood, fried aroma.

Clear colourless liquid; Fruity, fatty aroma with a cranberry note

2-Pentylthiophene is a member of thiophenes.

2-Pentylthiophene Basic Attributes

Molecular Weight：

154.27

Exact Mass：

154.27

EC Number：

225-465-9

UNII：

L79LOS1ZKM

DSSTox ID：

DTXSID8063628

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

4.3

Appearance：

Clear colourless liquid; Fruity, fatty aroma with a cranberry note

Density：

0.947 g/cm³ @ Temp: 18.7 °C

Melting Point：

-59.0 °C

Boiling Point：

118-120 °C @ Press: 12 Torr

Flash Point：

53.1±3.3 °C

Refractive Index：

1.508

Water Solubility：

Slightly soluble in water.

Safety Information

Packing level：

III

Transport codes：

1993

hazard class code：

R10

safety instructions：

S16-S23-S26-S36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 1438 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Pentylthiophene Use and Manufacturing

Methods of Manufacturing

Degradation of benzothiophene by synthesized catalysts was studied under UV and visiblelight. To prepare the degradation solution, a predetermined amount of the sample (0.05-0.4 g) was transferred into a degradation cell, and 10 mL of the pollutantsolutions (100-600 mg L-1) was added. The mixture was thoroughly shaken until a homogenous suspension was obtained, and then gently shaken in the dark to maintain the adsorption/desorption process at equilibrium. The mixture was put under UV orvisible light for a predetermined time (0.0-500 min). As UV source, a 30 W, PhilipsHg lamp, and, for visible light, a 30 W fluorescence lamp were used. The lamps were installed 10 cm above the cell [15, 16]. After irradiation, the photocatalyst was removedand the benzothiophene content was measured at lambdamax = 246 nm. Blank samples (without photocatalysts) were used to evaluate the rate of photolysis of the pollutants. The degradation efficiency was determined by Eq. (1):% Degradation = ((A0 - At)/A0)x100 A0 and At are the absorbance of pollutant before and after irradiation, respectively.The effect of different influencing variables including ZnO content of the photocatalyst, irradiation time, pollutant initial concentration, catalyst dose, and the effect of H2O2 on pollutant decomposition was studied.

Uses

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

Manufacturing Info：

Thiophene, 2-pentyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:154.27
XLogP3:4.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:154.08162162
Monoisotopic Mass:154.08162162
Topological Polar Surface Area:28.2
Heavy Atom Count:10
Complexity:80.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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