EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-hydroxybenzyl cyanide
acetonitrile, 4-hydroxyphenyl-

Supplier Sponsors

Name:2-(4-hydroxyphenyl)acetonitrile
CAS Number: 14191-95-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:238-046-0
FDA UNII: 18Q5J224RM
Nikkaji Web:J90.701D
Beilstein Number:1934470
MDL:MFCD00002383
XlogP3:1.50 (est)
Molecular Weight:133.14999000
Formula:C8 H7 N O
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
Melting Point: 67.00 to 71.00 °C. @ 760.00 mm Hg
Boiling Point: 329.00 to 330.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000089 mmHg @ 25.00 °C. (est)
Flash Point: 279.00 °F. TCC ( 137.20 °C. ) (est)
logP (o/w): 0.591 (est)
Soluble in:
 water, 2.197e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfa Biotechnology
For experimental / research use only.
4-Hydroxybenzyl cyanide 98%
BOC Sciences
For experimental / research use only.
4-Hydroxybenzyl cyanide
EMD Millipore
For experimental / research use only.
4-Hydroxyphenylacetonitrile
sds
Matrix Scientific
For experimental / research use only.
4-Hydroxyphenylacetonitrile
sds
Santa Cruz Biotechnology
For experimental / research use only.
4-Hydroxyphenylacetonitrile
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Hydroxyphenylacetonitrile 98%
sds
TCI AMERICA
For experimental / research use only.
4-Hydroxybenzyl Cyanide >99.0%(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:
Not determined
Dermal Toxicity:
subcutaneous-rat LDLo 250 mg/kg
BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Food and Cosmetics Toxicology. Vol. 18, Pg. 159, 1980.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 4-hydroxybenzyl cyanide usage levels up to:
 not for fragrance use.
 
Recommendation for 4-hydroxybenzyl cyanide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26548
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-(4-hydroxyphenyl)acetonitrile
Chemidplus:0014191958
RTECS:AM0530000 for cas# 14191-95-8
 
References:
 2-(4-hydroxyphenyl)acetonitrile
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):26548
Pubchem (sid):134990880
 
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
Golm Metabolome Database:Search
Metabolomics Database:Search
KEGG (GenomeNet):C03766
HMDB (The Human Metabolome Database):HMDB29757
FooDB:FDB000961
Export Tariff Code:2926.90.4800
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 moringa leaf
Search Trop Picture
 mustard white mustard
Search Trop Picture
 sorghum
Search Trop Picture
 
Synonyms:
 acetonitrile, (p-hydroxyphenyl)-
 acetonitrile, 4-hydroxyphenyl-
 benzeneacetonitrile, 4-hydroxy-
 benzeneacetonitrile, 4-hydroxy- (9CI)
4-(cyanomethyl)phenol
4-hydroxy benzyl cyanide
4-hydroxybenzene acetonitrile
4-hydroxybenzeneacetonitrile
p-hydroxybenzeneacetonitrile
p-hydroxybenzyl cyanide
para-hydroxybenzyl cyanide
4-hydroxybenzylcyanide
(4-hydroxyphenyl)acetonitrile
2-(4-hydroxyphenyl)acetonitrile
2-(4-hydroxyphenyl)ethanenitrile
4-hydroxyphenylacetic acid nitrile
4-hydroxyphenylacetonitrile
p-hydroxyphenylacetonitrile
 

Articles:

PubMed:Novel phenolic glycosides, adenophorasides A-E, from Adenophora roots.
PubMed:Sinapis phylogeny and evolution of glucosinolates and specific nitrile degrading enzymes.
PubMed:Evolution of heteromeric nitrilase complexes in Poaceae with new functions in nitrile metabolism.
PubMed:Host plant-dependent metabolism of 4-hydroxybenzylglucosinolate in Pieris rapae: substrate specificity and effects of genetic modification and plant nitrile hydratase.
PubMed:[Study on intermediate products in chloroform formation from L-tyrosine treated with sodium hypochlorite].
PubMed:Antioxidants from rape (Brassica campestris vir. Japonica Hara) oil cake.
PubMed:Two new bromotyrosine-derived metabolites from the sponge Psammaplysilla purpurea.
PubMed:Supercritical fluid chromatography as a method of analysis for the determination of 4-hydroxybenzylglucosinolate degradation products.
PubMed:Aspects on the Biosynthesis of the Cyanogenic Glucoside Triglochinin in Triglochin maritima1.
PubMed:Biosynthesis of cyanogenic glucosides: in vitro analysis of the glucosylation step.
PubMed:Trapping of metabolically generated electrophilic species with cyanide ion: metabolism of 1-benzylpyrrolidine.
 
Notes:
suicide substrate for dopamine beta-hydroxylase. Isol. from white mustard (Brassica alba) as a dec. product of 4-Hydroxybenzyl glucosinolate KZZ54-K
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