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Octadecanenitrile

Octadecanenitrile structure

Octadecanenitrile 

structure
  • CAS No:

    638-65-3

  • Formula:

    C18H35N

  • Chemical Name:

    Octadecanenitrile

  • Synonyms:

    Octadecanenitrile;Stearonitrile;Octadecanonitrile;Heptadecyl cyanide;Stearic nitrile;n-Octadecanonitrile;1-Cyanoheptadecane;NSC 5541

Description

Liquid


Stearonitrile is a fatty nitrile obtained by formal condensation of stearic (octadecanoic) acid with ammonia. It has a role as a plant metabolite. It derives from an octadecanoic acid.

Octadecanenitrile Basic Attributes

265.47700

265.48

211-345-3

QXY19Q5N5I

5541

DTXSID4027280

2926909090

Characteristics

23.79000

6.77148

Liquid

0.8325 g/cm3 @ Temp: 20 °C

41 °C

362 °C @ Press: 760 Torr

>230 °F

1.447

INSOL IN WATER; SOL IN ALCOHOL; VERY SOL IN ETHER, ACETONE & CHLOROFORM

Safety Information

3276

3

20/21/22

S36

WI5500000

Xn

P280

H312 + H332

|Warning|H312 (92.68%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P271, P280, P302+P352, P304+P312, P304+P340, P312, P322, P363, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

stearonitrile

Octadecanenitrile Use and Manufacturing

Methods of Manufacturing

REACTION OF STEARIC ACID WITH AMMONIA IN LIQUID OR VAPOR PHASE IN THE PRESENCE OF A DEHYDRATION CATALYST, EG, ALUMINA

Uses

Intermediates

Production

1,000,000 - 10,000,000 lb|(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS|(1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS

All other basic organic chemical manufacturing|Octadecanenitrile: ACTIVE|N-OCTADECANENITRILE 1 MG/CAGE COMPETED SUCCESSFULLY WITH SINGLE CAGED VIRGIN FEMALE SPRUCE BUDWORM MOTHS, CHORISTONEURA FUMIFERANA, IN ATTRACTING MALE BUDWORM MOTHS, IN FIELD TESTS.

Computed Properties

Molecular Weight:265.5
XLogP3:8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:15
Exact Mass:265.276950121
Monoisotopic Mass:265.276950121
Topological Polar Surface Area:23.8
Heavy Atom Count:19
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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