(Q425620)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Phenylacetonitril.png
530 × 247; 4 KB

1 reference

German Wikipedia

mass

117.058 dalton

1 reference

Phenylacetonitrile (English)

5 October 2016

chemical formula

C₈H₇N

1 reference

Phenylacetonitrile (English)

5 October 2016

canonical SMILES

C1=CC=C(C=C1)CC#N

1 reference

Phenylacetonitrile (English)

5 October 2016

melting point

−24.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Parthenium hysterophorus

1 reference

Biocontrol of Parthenium hysterophorus L.

Inula racemosa

1 reference

The essential oil of inula racemosa

Botrytis cinerea

1 reference

Odorous metabolites of fungi, Chaetomium globosum Kinze ex Fr. and Botrytis cinerea Pers. ex Fr., and a blue-green alga, Phormidium tenue (Meneghini) Gomont.

1 reference

1 reference

Phenylacetonitrile; an auxin-like growth substance from sugar beet (Beta vulgaris)

Plumeria rubra

1 reference

Volatile components of plumeria flowers. Part 2.1 Plumeria rubra L. cv. ‘Irma Bryan’

Lepidium meyenii

1 reference

Composition of the essential oil of Lepidium meyenii (Walp).

Salvadora persica

1 reference

GC-MS Analysis and Bioactivity Testing of the Volatile Oil from the Leaves of the Toothbrush Tree Salvadora persica L

Carica papaya

5 references

Volatile components of papaya (Carica papaya L.) with particular reference to glucosinolate products

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Comparative metabolites profiling of harvested papaya (Carica papaya L.) peel in response to chilling stress

Headspace examination of volatile emissions from ripening papaya (Carica papaya L., Solo variety)

Volatile components of papaya (Carica papaya L., Solo variety)

mandarin orange

1 reference

A comparison of citrus blossom volatiles

Hesperis matronalis

1 reference

Flower color-flower scent associations in polymorphic Hesperis matronalis (Brassicaceae)

Nicotiana bonariensis

1 reference

Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes

desert locust

1 reference

Courtship inhibition pheromone in desert locusts, Schistocerca gregaria

Fallopia sachalinensis

1 reference

Phenylacetonitrile from the giant knotweed, Fallopia sachalinensis, infested by the Japanese beetle, Popillia japonica, is induced by exogenous methyl jasmonate.

Japanese beetle

1 reference

Phenylacetonitrile from the giant knotweed, Fallopia sachalinensis, infested by the Japanese beetle, Popillia japonica, is induced by exogenous methyl jasmonate.

Alliaria petiolata

1 reference

Free and Bound Volatiles of Garlic Mustard (Alliaria petiolata)

Citrus × paradisi

1 reference

A comparison of citrus blossom volatiles

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Brassica rapa

3 references

The molecular bases of floral scent evolution under artificial selection: insights from a transcriptome analysis in Brassica rapa.

Heritability of floral volatiles and pleiotropic responses to artificial selection in Brassica rapa.

The effects of becoming taller: direct and pleiotropic effects of artificial selection on plant height in Brassica rapa.

tomato

1 reference

Determination of Volatile Organic Compounds in Andean Tomato Landraces by Headspace Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry

Camellia sinensis

1 reference

Metabolite profiling of Camellia sinensis by automated sequential, multidimensional gas chromatography/mass spectrometry reveals strong monsoon effects on tea constituents

Citrus × deliciosa

1 reference

A comparison of citrus blossom volatiles

Sinapis alba

3 references

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Headspace volatiles of whole plants and macerated plant parts of Brassica and Sinapis

Prunus padus

1 reference

Volatile Constituents of European Bird Cherry Flowers (Padus aviumMill.)

0 references

0 references

0 references

Benzyl cyanide

0 references

Identifiers

GND ID

4513556-3

1 reference

InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

German Wikipedia

InChI

1 reference

Phenylacetonitrile (English)

5 October 2016

2 references

Phenylacetonitrile (English)

5 October 2016

ChEBI release 2020-09-01

2 references

phenylacetonitrile (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=140-29-4

10 April 2021

1 reference

Benzyl cyanide (English)

5 October 2016

2 references

Phenylacetonitrile (English)

5 October 2016

Reaxys registry number

385941

1 reference

phenylacetonitrile (English)

5 October 2016

Gmelin number

68893

0 references

ChEBI ID

25979

mapping relation type

2 references

phenylacetonitrile (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

1 reference

CHEMBL3560735 (English)

5 October 2016

2 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001516

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006144

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008091

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008189

0 references

SPLASH

splash10-014i-6900000000-9fa568274538519d6221

0 references

splash10-014i-4900000000-7fb420e2a4693843bcc6

0 references

splash10-014i-9700000000-44dc07c52f713661d49d

0 references

splash10-014i-9600000000-bacbbfee69800587e876

0 references

NMRShiftDB structure ID

10005923

1 reference

Hazardous Substances Data Bank

0 references

0 references

1 reference

28 October 2019

PHENYLACETONITRILE (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

0 references

1 reference

Global Substance Registration System

UNII

23G40PRP93

PHENYLACETONITRILE (English)

ECHA Substance Infocard ID

5 October 2016

100.004.919

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.919

27 December 2018

Phenylacetonitrile (English)

quotation

CAS no.: 140-29-4 (English)

1 reference

1 reference

Human Metabolome Database ID

Japanese Wikipedia

UM-BBD compound ID

c0647

0 references

HMDB0034171

2 references

3 references

phenylacetonitrile (English)

5 October 2016

C00048326

2 references

C00052868

2 references

UNII

23G40PRP93

2 references

Global Substance Registration System

UNII

23G40PRP93

PHENYLACETONITRILE (English)

5 October 2016

1 reference

phenylacetonitrile (English)

5 October 2016

1 reference

28 October 2013

Microsoft Academic ID

2780528398

0 references

Römpp online ID

RD-16-01647

1 reference