2-pentanone (Q209460)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Pentan-2-one 200.svg
162 × 67; 7 KB

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image of molecular model or crystal lattice model

2-Pentanone-3D-balls.png
1,128 × 588; 142 KB

depicts

ball-and-stick model

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mass

86.073 dalton

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2-Pentanone (English)

19 October 2016

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1 reference

chemical formula

C₅H₁₀O

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2-Pentanone (English)

19 November 2016

canonical SMILES

CCCC(=O)C

1 reference

2-Pentanone (English)

19 November 2016

ionization energy

9.39 electronvolt

series ordinal

1

1 reference

9.38 electronvolt

series ordinal

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.81 gram per cubic centimetre

20 degree Celsius

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melting point

−56 degree Celsius

1 reference

https://www.alfa.com/en/catalog/A14867/

−78.0 degree Celsius

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Jean-Claude Bradley Open Melting Point Dataset

−76.9 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

215 degree Fahrenheit

under pressure

760 torr

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102.26 degree Celsius

under pressure

101.325 kilopascal

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Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

27 millimetre of mercury

temperature

68 degree Fahrenheit

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solubility

6 gram per 100 gram of solvent

68 degree Fahrenheit

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determination method or standard

flash point

45 degree Fahrenheit

Pensky–Martens closed-cup test

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lower flammable limit

1.5 volume percent

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upper flammable limit

8.2 volume percent

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time-weighted average exposure limit

NIOSH Pocket Guide ID

0488

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530 milligram per cubic metre

applies to jurisdiction

no value

duration

10 hour

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700 milligram per cubic metre

applies to jurisdiction

United States of America

duration

8 hour

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immediately dangerous to life or health

5,280 milligram per cubic metre

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found in taxon

Aglaia odoratissima

1 reference

Investigations on the rootbark of Aglaia odoratissima

common sunflower

1 reference

Isolation and identification of volatile constituents of sunflowers (Helianthus annuus L.)

Cichorium endivia

1 reference

Neutral volatiles from blended endive (Cichorium endivia, L.)

Malpighia punicifolia

1 reference

Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity

Olea europaea

1 reference

Analysis of volatiles from callus cultures of olive Olea europaea

Spondias mombin

1 reference

Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)

Uloma tenebrionoides

1 reference

Defensive secretions of New Zealand tenebrionids V. Presence of methyl ketones inUloma tenebrionoides (Coleoptera: Tenebrionidae)

Vaccinium ashei

1 reference

Comparison of the Volatile Constituents from Rabbiteye Blueberries (Vaccinium ashei) During Ripening

Vitis rotundifolia

1 reference

Identification of the Volatile Constituents from Scuppernong Berries (Vitis rotundifolia)

Aloe africana

1 reference

Aloe exudate: characterization by reversed phase HPLC and headspace GC-MS.

Mangifera indica

1 reference

Characteristic Aroma Components of the Volatile Oil of Yellow Keaw Mango Fruits Determined by Limited Odor Unit Method.

Annona muricata

1 reference

Equilibrium headspace analysis of volatile flavor compounds extracted from soursop (Annona muricata) using solid-phase microextraction

Carica papaya

2 references

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

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

tomato

1 reference

Effect of autochthonous lactic acid bacteria starters on health-promoting and sensory properties of tomato juices

Vaccinium virgatum

1 reference

Comparison of the Volatile Constituents from Rabbiteye Blueberries (Vaccinium ashei) During Ripening

Vaccinium corymbosum

1 reference

Comparison of the Volatile Constituents from Rabbiteye Blueberries (Vaccinium ashei) During Ripening

Malpighia glabra

1 reference

Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity

Malpighia emarginata

1 reference

Chemical composition of acerola fruit (Malpighia punicifolia L.) at three stages of maturity

Scleromitrion diffusum

1 reference

Composition of the Essential Oil of Hedyotis diffusa Willd.

Passiflora edulis

1 reference

The chemistry of food flavour. I. Volatile constituents of passionfruit, Passiflora edulis

Fragaria

1 reference

Composition of Secondary Metabolites in Various Parts of 'Seolhyang' Strawberry Plants

has characteristic

Class IB flammable liquid

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InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

Commons category

2-Pentanone

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Identifiers

InChI

1 reference

2-Pentanone (English)

19 November 2016

2 references

2-Pentanone (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

107-87-9

2 references

Global Substance Registration System

methyl propyl ketone (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=107-87-9

10 April 2021

1 reference

Pentan-2-one (English)

19 November 2016

2 references

2-Pentanone (English)

19 November 2016

Reaxys registry number

506058

1 reference

pentan-2-one (English)

19 October 2016

ChEBI ID

16472

mapping relation type

2 references

CHEMBL45345 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

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MSBNK-Fac_Eng_Univ_Tokyo-JP000257

CHEMBL45345 (English)

19 November 2016

1 reference

MassBank accession ID

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MSBNK-Fac_Eng_Univ_Tokyo-JP001801

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MSBNK-Fac_Eng_Univ_Tokyo-JP009752

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MSBNK-Fac_Eng_Univ_Tokyo-JP006444

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SPLASH

splash10-0006-9500000000-a8e31a9aba1a3bc1fe5a

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splash10-0006-9500000000-9d6ab400df7dd4c12a37

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splash10-0006-9500000000-b4ba5ddb582a624253c0

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splash10-0006-9500000000-801a958c8ff6cf1a07ac

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splash10-0006-9500000000-c3cd063ce0f4f22ce6ee

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NMRShiftDB structure ID

10016750

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Hazardous Substances Data Bank

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SA7875000

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1 reference

28 October 2019

2-PENTANONE (English)

10 May 2021

2 references

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

DSSTOX compound identifier

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1 reference

Global Substance Registration System

methyl propyl ketone (English)

ECHA Substance Infocard ID

19 November 2016

100.003.208

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.208

27 December 2018

OSHA Occupational Chemical Database ID

Pentan-2-one (English)

quotation

CAS no.: 107-87-9 (English)

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1 reference

28 December 2019

PENTANONE (English)

CAS no.: 107-87-9 (English)

CDB Chemical ID

3969540

pentan-2-one (English)

2 April 2016

2 references

http://cdb.ics.uci.edu/cgibin/ChemicalDetailWeb.py?chemical_id=3969540

Human Metabolome Database ID

UCI ChemDB

HMDB0034235

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00052133

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

methyl propyl ketone (English)

19 November 2016

imported from Wikimedia project

KEGG ID

C01949

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1 reference

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28 October 2013

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279

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

11 November 2021

Microsoft Academic ID

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1 reference

3BH3 (English)