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2-Hexylpyridine

2-Hexylpyridine structure

CAS No:
1129-69-7
Formula:
C11H17N
Chemical Name:
2-Hexylpyridine
Synonyms:
Pyridine,2-hexyl-;2-Hexylpyridine;2-(n-Hexyl)pyridine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Hexylpyridine Basic Attributes

Molecular Weight：

163.264

Exact Mass：

163.26

EC Number：

214-454-4

DSSTox ID：

DTXSID10150207

HScode：

2933399090

Characteristics

PSA：

12.9

XLogP3：

3.4

Density：

0.899±0.06 g/cm3(Predicted)

Boiling Point：

100 °C @ Press: 0.1 Torr

Flash Point：

98.9ºC

Refractive Index：

1.489

Water Solubility：

Slightly soluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

RTECS Number：

UT4245000

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (97.03%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1417 companies from 5 notifications to the ECHA C&L Inventory.

2-Hexylpyridine Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:163.26
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:163.136099547
Monoisotopic Mass:163.136099547
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes