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Home > Encyclopedia > 3-Methyl-5-phenylpentanenitrile

3-Methyl-5-phenylpentanenitrile

3-Methyl-5-phenylpentanenitrile structure

3-Methyl-5-phenylpentanenitrile 

structure
  • CAS No:

    54089-83-7

  • Formula:

    C12H15N

  • Chemical Name:

    3-Methyl-5-phenylpentanenitrile

  • Synonyms:

    Benzenepentanenitrile,β-methyl-;β-Methylbenzenepentanenitrile;3-Methyl-5-phenylpentanenitrile;3-Methyl-5-phenylpentanonitrile;Hydrocitronitrile

  • Categories:

    Cosmetic Ingredient  >  Perfuming

3-Methyl-5-phenylpentanenitrile Basic Attributes

173.25400

173.25

258-969-2

DTXSID8052190

2926909090

Characteristics

23.79000

3.16898

0.951g/cm3

311.9ºC at 760 mmHg

153.7ºC

1.507

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1547 companies from 2 notifications to the ECHA C&L Inventory.

3-Methyl-5-phenylpentanenitrile Use and Manufacturing

Benzenepentanenitrile, .beta.-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:173.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:173.120449483
Monoisotopic Mass:173.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:171
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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