Articles:
acetonitrile, 4-hydroxyphenyl-
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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| CAS Number: | 14191-95-8 |  3D/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 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 |
| Matrix Scientific |
| For experimental / research use only. |
| 4-Hydroxyphenylacetonitrile |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-Hydroxyphenylacetonitrile |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-Hydroxyphenylacetonitrile 98% |
| TCI AMERICA |
| For experimental / research use only. |
| 4-Hydroxybenzyl Cyanide >99.0%(GC) |
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 |