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3,7-Dimethyloctanenitrile

3,7-Dimethyloctanenitrile structure

CAS No:
40188-41-8
Formula:
C10H19N
Chemical Name:
3,7-Dimethyloctanenitrile
Synonyms:
Octanenitrile,3,7-dimethyl-;3,7-Dimethyloctanenitrile;Tetrahydrogeranonitrile;6,7-Dihydrocitronellyl nitrile
Categories:
Cosmetic Ingredient > Perfuming

Description

3,7-Dimethyloctanenitrile is a clear colorless liquid with a citrus, aldehydic, and lemon odor. Due to its remarkable stability in aggressive media, it is used to perfume hypochlorite bleach cleaners. The material may be prepared from citronellal by hydrogenation, followed by oximation and dehydration.

3,7-Dimethyloctanenitrile Basic Attributes

Molecular Weight：

153.26500

Exact Mass：

153.26

EC Number：

609-792-8

DSSTox ID：

DTXSID7052076

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.36248

Density：

0.816g/cm3

Boiling Point：

223.1ºC at 760 mmHg

Flash Point：

77.5ºC

Refractive Index：

1.427

Safety Information

hazard class code：

38-43-51/53

safety instructions：

36/37-61

Marks：

Xi,N

Precautionary statement(s)：

P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501|H315 (99.94%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 1555 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|Aggregated GHS information provided by 50 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3,7-Dimethyloctanenitrile Use and Manufacturing

Manufacturing Info：

Octanenitrile, 3,7-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:153.26
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:153.151749610
Monoisotopic Mass:153.151749610
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:129
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dimethyloctanenitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

3,7-Dimethyloctanenitrile

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