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Octyl isocyanate

Octyl isocyanate structure

CAS No:
3158-26-7
Formula:
C9H17NO
Chemical Name:
Octyl isocyanate
Synonyms:
Octane,1-isocyanato-;Isocyanic acid,octyl ester;1-Isocyanatooctane;Octyl isocyanate;n-Octyl isocyanate;1-Octyl isocyanate;1402151-44-3
Categories:
Chemical Reagents > Organic Reagents

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Description

turbid milky to light yellow liquid

Octyl isocyanate Basic Attributes

Molecular Weight：

155.24

Exact Mass：

155.24

EC Number：

221-598-1

DSSTox ID：

DTXSID2062874

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

2.68270

Appearance：

Turbid milky to light yellow Liquid

Density：

0.88 g/mL at 25 °C(lit.)

Boiling Point：

94-95 °C @ Press: 18 Torr

Flash Point：

160 °F

Refractive Index：

n20/D 1.432(lit.)

Water Solubility：

Decomposes in water

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 3

wgk germany：

hazard class code：

22-36/37/38-42-20/21/22

safety instructions：

23-26-36-45-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338-P342 + P311

Hazard Statements：

H302-H315-H319-H334-H335

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

n-octylisocyanate

Octyl isocyanate Use and Manufacturing

Manufacturing Info：

Octane, 1-isocyanato-: ACTIVE

Computed Properties

Molecular Weight:155.24
XLogP3:4.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:155.131014166
Monoisotopic Mass:155.131014166
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:117
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Octyl isocyanate

CAS No.: 3158-26-7

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