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2-cyclohexylidene-2-phenylacetonitrile

2-cyclohexylidene-2-phenylacetonitrile structure

CAS No:
10461-98-0
Formula:
C14H15N
Chemical Name:
2-cyclohexylidene-2-phenylacetonitrile
Synonyms:
Benzeneacetonitrile,α-cyclohexylidene-;Δ1,α-Cyclohexaneacetonitrile,α-phenyl-;α-Cyclohexylidenebenzeneacetonitrile;NSC 408284;Peonile;2-cyclohexylidene-2-phenylacetonitrile;Petalia
Categories:
Flavors and Fragrances > Synthetic Fragrances

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2-cyclohexylidene-2-phenylacetonitrile Basic Attributes

Molecular Weight：

197.27600

Exact Mass：

197.28

EC Number：

423-740-1|600-592-6

NSC Number：

408284

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

3.92788

Density：

1.02981 g/cm³ @ Temp: 21.4 °C

Melting Point：

169-171 °C

Boiling Point：

192-193 °C @ Press: 25 Torr

Flash Point：

166.8ºC

Refractive Index：

1.569

Vapor Pressure：

4.29E-05mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 121 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 3188 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|P201, P202, P260, P261, P264, P270, P271, P273, P281, P301+P312, P304+P312, P304+P340, P308+P313, P312, P314, P330, P391, P403+P233, P405, and P501

2-cyclohexylidene-2-phenylacetonitrile Use and Manufacturing

Uses

Odor agents

Air care products

Manufacturing Info：

Soap, cleaning compound, and toilet preparation manufacturing|Benzeneacetonitrile, .alpha.-cyclohexylidene-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:197.27
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:197.120449483
Monoisotopic Mass:197.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:15
Complexity:278
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-cyclohexylidene-2-phenylacetonitrile

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

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