4-hydroxybenzyl cyanide
acetonitrile, 4-hydroxyphenyl-
Identification
| Name | 4-hydroxybenzyl cyanide |
| IUPAC | 2-(4-hydroxyphenyl)acetonitrile |
| CAS Number | 14191-95-8 |
| EINECS | 238-046-0 |
| FDA UNII | 18Q5J224RM |
| Molecular Formula | C8 H7 N O |
| Molecular Weight | 133.14999000 |
| MDL Number | MFCD00002383 |
| Nikkaji Number | J90.701D |
| Beilstein | 1934470 |
| XlogP3 | 1.50 (est) |
Regulatory
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) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | subcutaneous-rat LDLo 250 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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. |
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Potential Uses
Natural Occurrence
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
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.