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2-Octylthiophene

2-Octylthiophene structure

CAS No:
880-36-4
Formula:
C12H20S
Chemical Name:
2-Octylthiophene
Synonyms:
Thiophene,2-octyl-;2-Octylthiophene;2-n-Octylthiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Octylthiophene Basic Attributes

Molecular Weight：

196.35

Exact Mass：

196.35

BRN：

114488

EC Number：

212-913-3

DSSTox ID：

DTXSID70236753

HScode：

2934999090

Characteristics

PSA：

28.2

XLogP3：

5.5

Density：

0.934 g/cm³

Melting Point：

-44.22 °C

Boiling Point：

180 °C @ Press: 12 Torr

Flash Point：

127-129°C/12mm

Refractive Index：

1.492

Storage Conditions：

0-10°C

Safety Information

wgk germany：

safety instructions：

S22-S24/25

Drug Information

MeSH Entry Terms：

2-n-octylthiophene

2-Octylthiophene Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:196.35
XLogP3:5.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:196.12857181
Monoisotopic Mass:196.12857181
Topological Polar Surface Area:28.2
Heavy Atom Count:13
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes