2-acetylpyridine (Q4596853)

imported from Wikimedia project

inferred from InChI

chemical formula

C₇H₇NO

0 references

canonical SMILES

CC(C1=NC=CC=C1)=O

1 reference

English Wikipedia

density

1.08 gram per cubic centimetre

20 degree Celsius

1 reference

2-Acetylpyridin (German)

9 March 2019

melting point

10 degree Celsius

1 reference

2-Acetylpyridin (German)

9 March 2019

9.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

boiling point

188 degree Celsius

1 reference

2-Acetylpyridin (German)

9 March 2019

vapor pressure

0.2 hectopascal

temperature

20 degree Celsius

1 reference

2-Acetylpyridin (German)

9 March 2019

170 gram per litre

20 degree Celsius

1 reference

2-Acetylpyridin (German)

partition coefficient water/octanol

9 March 2019

0.84

1 reference

2-Acetylpyridin (German)

New pyridine derivatives and basic components in spearmint oil (Mentha gentilis f. cardiaca) and peppermint oil (Mentha piperita)

9 March 2019

flash point

76 degree Celsius

1 reference

2-Acetylpyridin (German)

9 March 2019

1 reference

Camellia sinensis

1 reference

New volatile constituents of black tea aroma

Phaseolus vulgaris

1 reference

Characterization of some volatile constituents of dry red beans

Nicotiana tabacum

2 references

A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

corn mint

1 reference

New pyridine derivatives and basic components in spearmint oil (Mentha gentilis f. cardiaca) and peppermint oil (Mentha piperita)

Identifiers

InChI

InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3

0 references

imported from Wikimedia project

0 references

CAS Registry Number

1122-62-9

2 references

English Wikipedia

https://commonchemistry.cas.org/detail?cas_rn=1122-62-9

10 April 2021

ChemSpider ID

13648

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

14286

1 reference

ChEBI ID

193619

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3

SureChEMBL ID

SCHEMBL55127

2 references

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20035480

1 reference

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

0 references

2 references

DSSTOX compound identifier

0 references

0 references

214-355-6

0 references

ECHA Substance Infocard ID

100.013.051

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.013.051

AICS Chemical ID (BEING DELETED)

27 December 2018

title

Methyl 2-pyridyl ketone (English)

quotation

CAS no.: 1122-62-9 (English)

FL number

14.038

1 reference

quotation

CAS no.: 1122-62-9 (English)

23 January 2021

14.038

1 reference

6117

0 references

Human Metabolome Database ID

HMDB0035281

2 references

inferred from InChIKey

KNApSAcK ID

C00052620

2 references

inferred from InChIKey

UNII

629O10UI3L

1 reference

Freebase ID

/m/0nb76pv

0 references

JECFA number

1309

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)