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peony acetonitrile

Chemical Structure

General Material Information

Preferred name peony acetonitrile
Trivial Name 2-cyclohexylidene-2-phenylacetonitrile
Short Description peonile (Givaudan)
Formula C14 H15 N
CAS Number 10461-98-0
FDA UNII Search
Nikkaji Number J2.470.173E
xLogP3-AA 3.60 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • benzeneacetonitrile, a-cyclohexylidene-
  • 2-cyclohexyl-2-cyclohexylideneacetonitrile
  • 2-cyclohexylidene-2-phenyl acetonitrile
  • 2-cyclohexylidene-2-phenylacetonitrile
  • 2-cyclohexylidene-2-phenylethanenitrile
  • cyclohexylidene(phenyl)acetonitrile
  • a- cyclohexylidenebenzeneacetonitrile,
  • cyclohexylidenephenylacetonitrile
  • geranium nitrile (Tadimety)
  • gerolil
  • peolan
  • peonile (Givaudan)
  • Benzeneacetonitrile, α-cyclohexylidene-
  • Δ1,α-Cyclohexaneacetonitrile, α-phenyl-
  • α-Cyclohexylidenebenzeneacetonitrile
  • NSC 408284
  • Peonile
  • 2-cyclohexylidene-2-phenylacetonitrile
  • Petalia

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

2-cyclohexylidene-2-phenylacetonitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):66327
Pubchem (sid):135026097
Publications by US Patents
6,069,125 - Nitrile

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 197.2805480957
Boiling Point 350 to 351°C @ 760 mm Hg
Vapor Pressure 4.2E-5 mmHg @ 25 °C
Flash Point TCC Value 120 °C TCC
logP (o/w) 3.851 est
Solubility
alcohol Yes
water, 7.5 mg/L @ 20 °C (exp) Yes
Stability
alcoholic - good Unspecified
antiperspirant spray - good Unspecified
APC (pH = 10) - good Unspecified
candles - good Unspecified
damp fabric - good Unspecified
dry fabric - good Unspecified
liquid bleach - moderate Unspecified
pH = 2 - good Unspecified
powder detergent - good Unspecified
powder detergent + activator - good Unspecified
soap - good Unspecified
toiletries - good Unspecified

Organoleptic Properties

Odor Type: Floral
peony, floral, geranium, grapefruit, fresh
Odor strength medium
Substantivity 400 hour(s) at 100.00 %
General comment At 100.00 %. floral geranium grapefruit fresh
Peonile, with its geranium-rosy character, gives interesting combinations in floral, fougère or hesperidian accords. Peonile is powerful, relatively non-volatile and is very stable in almost all media. It has very high substantivity on wet and dry laundry and helps to increase volume and tenacity in functional perfumes. Floral, Geranium, Grapefruit, Fresh
Writing in 1999 Arcadi Boix Camps says it “is an extremely good chemical smelling of geranium, rose and other flowers. It is incredibly effective as a floralizer on powder detergent and soap fragrances and provides a harmony not easily acheived with other chemicals. It remains captive and is missing from most laboratories, but I believe it will come to be used more and more because of its outstanding and impressive properties” Floral-rose and geranium, green-citrus. Substantive and Fixative

Safety Information

Safety information

European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 22 - Harmful if swallowed.
R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 60 - This material and its container must be disposed of as hazardous waste.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for peony acetonitrile usage levels up to:
10.0000 % in the fragrance concentrate.
Recommendation for peony acetonitrile flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):10461-98-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66327
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3082
WGK Germany:2
2-cyclohexylidene-2-phenylacetonitrile
Chemidplus:0010461980