3-phenyl propionitrile, 645-59-0

Supplier Sponsors

Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
Email:	Marketing
US Email:	Marketing
Email:	Sales
US Email:	Sales
Voice: 1-631-485-4226
Fax: 1-631-614-7828
US Voice: 1-631-485-4226
US Fax: 1-631-614-7828
Europe	44-203-286-1088
Facebook
Twitter
Linkedin
Blog
Get the App!
CODE105852 CODE105852
Product(s):
645-59-0 3-Phenylpropionitrile

TCI AMERICA

Moving Your Chemistry Forward
We continuously strive to advance our technology.
With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
US Email:	Sales
Email:	Technical Support
Voice: 1-800-423-8616
Fax: 1- 888-520-1075
Facebook
Twitter
Instagram
Linkedin
CODE105852 CODE105852
Product(s):
P0611 3-Phenylpropionitrile >98.0%(GC)
SDS

Name:	3-phenylpropanenitrile
CAS Number:	645-59-0	3D/inchi
ECHA EINECS - REACH Pre-Reg:	211-447-8
FDA UNII:	H2Y1JYN13Q
Nikkaji Web:	J45.903H
Beilstein Number:	0636348
MDL:	MFCD00001961
XlogP3:	1.70 (est)
Molecular Weight:	131.17773000
Formula:	C9 H9 N
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	261.00 °C. @ 760.00 mm Hg
Soluble in:
	water, 1679 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor Description:powerful nasturtium

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

3-Phenylpropionitrile

Santa Cruz Biotechnology

For experimental / research use only.

3-Phenylpropionitrile

Sigma-Aldrich: Aldrich

For experimental / research use only.

3-Phenylpropionitrile 99%

sds

TCI AMERICA

For experimental / research use only.

3-Phenylpropionitrile >98.0%(GC)

sds

Safety Information:

Preferred SDS: View

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:
oral-mouse LD50 116 mg/kg Archives of Toxicology. Vol. 55, Pg. 47, 1984. intravenous-rabbit LDLo 39 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
Dermal Toxicity:
subcutaneous-guinea pig LDLo 150 mg/kg Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 153, Pg. 895, 1911.
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for 3-phenyl propionitrile usage levels up to:
	not for fragrance use.

Recommendation for 3-phenyl propionitrile 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):645-59-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :12581

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

3-phenylpropanenitrile

Chemidplus:0000645590

RTECS:MW5604750 for cas# 645-59-0

References:

	3-phenylpropanenitrile
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	12581
Pubchem (sid):	134976787

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
CHEBI:	View
HMDB (The Human Metabolome Database):	HMDB34236
FooDB:	FDB012548
Export Tariff Code:	2926.90.5050
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

FR	hyacinth
	watercress nasturtium

Occurrence (nature, food, other):note

	kale siberian kale seed Search Trop Picture
	mustard white mustard Search Trop Picture
	watercress Search Trop Picture

Synonyms:

	benzene propane nitrile
	benzene propionitrile
(2-	cyanoethyl) benzene
	hydrocinnamic acid nitrile
	hydrocinnamonitrile
	phenethyl cyanide
	phenyl ethyl cyanide
2-	phenyl ethyl cyanide
3-	phenyl propane nitrile
	phenyl propionic acid nitrile
	phenyl propionitrile
3-	phenylpropanenitrile

Articles:

PubMed:Chemical composition, aroma evaluation, and oxygen radical absorbance capacity of volatile oil extracted from Brassica rapa cv. "yukina" used in Japanese traditional food.

PubMed:The Knoevenagel reactions of pregnenolone with cyanomethylene reagents: synthesis of thiophene, thieno[2,3-b]pyridine, thieno[3,2-d]isoxazole derivatives of pregnenolone and their in vitro cytotoxicity towards tumor and normal cell lines.

PubMed:Germination stimulants of Phelipanche ramosa in the rhizosphere of Brassica napus are derived from the glucosinolate pathway.

PubMed:A new facile chemoenzymatic synthesis of levamisole.

PubMed:Chemo- and stereoselective reduction of an alpha-cyanoketone by bakers' yeast at low temperature.

Notes:

Constit. of Brassica napus (rape seed) and Nasturtium officinale (water cress)

3-phenyl propionitrile hydrocinnamonitrile

Supplier Sponsors

Articles:

3-phenyl propionitrile
hydrocinnamonitrile