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para-anisyl nitrile

General Material Information

Preferred name	para-anisyl nitrile
Trivial Name	4-Methoxybenzonitrile
Short Description	tonkanyle (Synarome)
Formula	C8 H7 N O
CAS Number	874-90-8
Deleted CAS Number	721942-48-9
ECHA Number	212-871-6
FDA UNII	Search
Nikkaji Number	J195.161K
MDL	MFCD00001818
Bio Activity Summary	External link
NMR Predictor	External link
Synonyms	anisonitrile p- anisonitrile para- anisonitrile p- anisyl nitrile aubepine nitrile 4-cyanoanisole p- cyanoanisole para- cyanoanisole 4-methoxy-benzonitrile 4-methoxybenzenecarbonitrile 4-methoxybenzonitril 4-methoxybenzonitrile p- methoxybenzonitrile para- methoxybenzonitrile p- methoxyphenyl cyanide para- methoxyphenyl cyanide tonkanyle (Synarome) Benzonitrile, 4-methoxy- p-Anisonitrile 4-Methoxybenzonitrile p-Cyanoanisole p-Methoxybenzonitrile p-Methoxyphenyl cyanide p-Anisylnitrile 4-Cyanoanisole 4-Cyanomethoxybenzene p-Cyanophenyl methyl ether 1-Cyano-4-methoxybenzene p-Methoxycyanobenzene NSC 3777 NSC 71539 p-Anisolecarbonitrile Aubepinenitrile 4-Methoxybenzenenitrile

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

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Literature & References

	4-methoxybenzonitrile
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	874-90-8
Pubchem (cid):	70129
Pubchem (sid):	135026754

Publications by PubMed
Autodisplay of nitrilase from Klebsiella pneumoniae and whole-cell degradation of oxynil herbicides and related compounds.
Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.
Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.
Synthesis and structure-activity relationships of the first ferrocenyl-aryl-hydantoin derivatives of the nonsteroidal antiandrogen nilutamide.
Anomalous reactivity of radical cations produced by photosensitized oxidation of 4-methoxybenzyl alcohol derivatives: role of the sensitizer.
Beta-aryl eliminations from Rh(I) iminyl complexes.
A mechanistic investigation of the carbon-carbon bond cleavage of aryl and alkyl cyanides using a cationic RhIII silyl complex.
Vibrational analysis of substituted benzonitriles. III. Transferability of force constants--the case of some halogeno-, methoxy- and nitro-benzonitriles.
[Catalysts for demethylation of methoxybenzonitrile in liquid-phase (author's transl)].
Aminonitriles and aminothioamides related to natural amino acids.

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
CHEMBL:	View
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2926.90.4800
ChemSpider:	View

Suppliers

BOC Sciences	Carbosynth
CJ Latta & Associates	EMD Millipore
Ernesto Ventós	Nagar Haveli Perfumes & Aromatics
Penta International	Santa Cruz Biotechnology
Seqens	Sigma-Aldrich: Aldrich
Synarome	TCI AMERICA
Tianjin Danjun International	CJ Latta & Associates, LLC
Penta International Corporation	Tianjin Danjun International Trade Co., LTD.
Ernesto Ventós S.A.

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	133.14999389648
Melting Point	61 to 62°C @ 760 mm Hg
Boiling Point	256 to 257°C @ 760 mm Hg
Vapor Pressure	0.014999 mmHg @ 25 °C
Flash Point TCC Value	57.22 °C TCC
logP (o/w)	1.7
Solubility
alcohol	Yes
water, 1715 mg/L @ 25 °C (est)	Yes
Stability
alkalis	Unspecified

Organoleptic Properties

Odor Type: Floral
sweet, floral, hawthorn, hay, coumarinic
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	400 hour(s) at 100.00 %
Luebke, William tgsc, (1984)	At 10.00 % in dipropylene glycol. sweet floral hawthorn hay coumarin
General comment	Soft tonka bean note with aniseed, almond and earthy nuances

Potential Uses

Applications	fragrance agents
Odor purposes	Acacia, Almond, Amber, Ambrene, Angel essence, Anise, Apple, Apricot, Balsam, Banana, Bluebell, Bouquet, Cherry, Cherry blossom, Christmas, Chypre, Clover, Coconut tropical coconut, Cologne, Crabapple blossom, Decumaria, Elder flower, Fennel, Fern, Floral, Gardenia, Genet, Ginger white ginger, Gooseberry, Grape, Hawthorn, Hay new mown hay, Heliotrope, Herbal, Hibiscus, Honey, Honeysuckle, Jasmin, Jonquil, Lemon, Lilac, Lime, Linden flower, Magnolia, Melon, Mimosa, Orange, Orchid, Oriental, Pear, Peppermint, Pineapple, Powder, Raspberry, Sassafras, Spearmint, Strawberry, Sweet grass, Sweet pea, Tuberose, Valerian, Vanilla, Violet, Wallflower, Wisteria, Ylang ylang
Flavoring purposes	Buchu leaf, Valerian, Walnut
Other purposes	Apres l'ondee
Cosmetic purposes	Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. S 37/39 - Wear suitable gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.

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 para-anisyl nitrile usage levels up to:
	0.6000 % in the fragrance concentrate.

Recommendation for para-anisyl nitrile 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):874-90-8

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :70129

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 2811

WGK Germany:3

4-methoxybenzonitrile

Chemidplus:0000874908