2-heptanone (Q517266)

chemical formula

C₇H₁₄O

1 reference

2-HEPTANONE (English)

19 November 2016

canonical SMILES

CCCCCC(=O)C

1 reference

2-HEPTANONE (English)

19 November 2016

ionization energy

9.33 electronvolt

series ordinal

1

2 references

NIOSH pocket guide to chemical hazards (superseded)

30 October 2015

9.30

series ordinal

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

density

0.81±0.01 gram per cubic centimetre

20±1 degree Celsius

1 reference

melting point

−32±1 degree Fahrenheit

1 reference

−35.0 degree Celsius

2 references

Jean-Claude Bradley Open Melting Point Dataset

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

305±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

151.05 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

3±1 millimetre of mercury

68±1 degree Fahrenheit

1 reference

solubility

0.4±0.1 gram per 100 gram of solvent

68±1 degree Fahrenheit

solvent

water

1 reference

determination method or standard

flash point

102±1 degree Fahrenheit

Pensky–Martens closed-cup test

1 reference

lower flammable limit

1.1±0.1 volume percent

151±1 degree Fahrenheit

1 reference

upper flammable limit

7.9±0.1 volume percent

250±1 degree Fahrenheit

1 reference

time-weighted average exposure limit

NIOSH Pocket Guide ID

0399

0 references

465±1 milligram per cubic metre

applies to jurisdiction

United States

duration

10±1 hour

1 reference

immediately dangerous to life or health

3,736±1 milligram per cubic metre

1 reference

found in taxon

Zingiber mioga

1 reference

Volatile Flavor Compounds of Myoga (Zingiber Mioga).

Aspalathus linearis

1 reference

Volatile components of Rooibos tea (Aspalathus linearis)

Apis mellifera

1 reference

A Comparison of 2-Heptanone Production in Africanized and European Strains of the Honeybee,Apis MelliferaL.

maize

3 references

Corn leaf volatiles: indentification using Tenax trapping for possible insect attractants

Volatiles of corn kernels and husks: possible corn ear worm attractants

Volatile Flavor Components of Corn Tortillas and Related Products

ginger

1 reference

Investigation of the essential oil of Vietnamese ginger

Amorphophallus annulifer

1 reference

Inflorescence odours of Amorphophallus and Pseudodracontium (Araceae)

Amorphophallus eichleri

1 reference

Inflorescence odours of Amorphophallus and Pseudodracontium (Araceae)

Arum maculatum

1 reference

The floral odour of Arum maculatum

Centipeda minima

1 reference

Biologically Active Constituents of Centipedaminima: Sesquiterpenes of Potential Anti-allergy Activity

watermelon

1 reference

Volatile flavor components of watermelon (Citrullus vulgaris).

Croton eluteria

1 reference

The constituents of cascarilla oil (croton eluteria bennett)

Evernia prunastri

1 reference

Qualitative analysis of the odoriferous fraction of oakmoss (Evernia prunastri)

Ontholestes murinus

1 reference

Notizen: Volatiles from the Defensive Secretions of Two Rove Beetle Species (Coleoptera: Staphylinidae)

Ophrys sphegodes

1 reference

Volatiles from the flowers of four species in the sections arachnitiformes and araneiferae of the genus Ophrys as insect mimetic attractants

Pelargonium vitifolium

1 reference

Composition of the Essential Oil ofPelargonium vitifolium(L.) L'Hérit. (Geraniaceae)

Polygala senega

1 reference

Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots

Cyperaceae

1 reference

Aromatic Plants of Tropical Central Africa. XXV. Volatile Components from Rhizomes ofScleria striatinuxDe Wild, from Cameroon

clove

1 reference

Volatile components of clove essential oil (Eugenia caryophyllus SPRENG): Neutral fraction.

Trifolium pratense

1 reference

Volatile components of red clover leaves, flowers, and seed pods: possible insect attractants

Trigonella foenum-graecum

1 reference

Volatile constituents of fenugreek seeds

Aloe africana

1 reference

Aloe ferox leaf gel phytochemical content, antioxidant capacity, and possible health benefits

Daucus carota

1 reference

Essential-oil composition of Daucus carota ssp. major (Pastinocello Carrot) and nine different commercial varieties of Daucus carota ssp. sativus fruits.

Laminaria japonica

1 reference

Chemical Composition and Antioxidant and Antibacterial Activities of an Essential Oil Extracted from an Edible Seaweed, Laminaria japonica L.

Cannabis sativa

1 reference

Constituents of Cannabis sativa L. XVII. A review of the natural constituents

Ganoderma lucidum

1 reference

Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus

Rhodiola rosea

1 reference

Volatiles from rhizomes of Rhodiola rosea L.

Mangifera indica

2 references

Volatile components from mango (Mangifera indica L.) cultivars

Aroma Volatile Constituents of Brazilian Varieties of Mango Fruit

Onion

1 reference

Chemical compositions and antioxidant/anti-inflammatory activities of steam distillate from freeze-dried onion ( Allium cepa L.) sprout

Carica papaya

2 references

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

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

Ceratophyllum demersum

1 reference

Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.

Garcinia dulcis

1 reference

Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba

Ruta graveolens

1 reference

High-resolution gas-chromatographic analysis of the secondary metabolites obtained by subcritical-fluid extraction from Colombian rue (Ruta graveolens L.).

tomato

2 references

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

Differentiation of the volatile profile of microbiologically contaminated canned tomatoes by dynamic headspace extraction followed by gas chromatography-mass spectrometry analysis

Magnolia obovata

1 reference

Composition of the Bark Oil of Magnolia obovata Thunb.

Lucensosergia lucens

1 reference

Volatile Components ofSergia lucensand Its Fermented Product

Matsutake

1 reference

Volatile flavor compounds of Matsutake-Tricholomam atsutake (Ito et Imai) Sing.

Bulbophyllum variegatum

1 reference

Sapromyiophily in the native orchid, Bulbophyllum variegatum, on Réunion (Mascarene Archipelago, Indian Ocean)

mass

114.104 dalton

1 reference

2-HEPTANONE (English)

Class II combustible liquid

19 October 2016

has characteristic

1 reference

InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

Commons category

2-Heptanone

0 references

Identifiers

InChI

1 reference

2-HEPTANONE (English)

19 November 2016

2 references

2-HEPTANONE (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

110-43-0

2 references

Global Substance Registration System

2-heptanone (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=110-43-0

9 April 2021

1 reference

2-Heptanone (English)

19 November 2016

2 references

2-HEPTANONE (English)

19 November 2016

Reaxys registry number

1699063

1 reference

heptan-2-one (English)

19 October 2016

Gmelin number

305860

0 references

ChEBI ID

5672

mapping relation type

2 references

CHEMBL18893 (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3

1 reference

CHEMBL18893 (English)

19 November 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP000262

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP009755

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006452

0 references

SPLASH

splash10-052f-9000000000-67e38b971af9b3c9eab2

0 references

splash10-0a4i-9000000000-91a94dcd78168a9329dd

0 references

splash10-0006-9000000000-e42425c6c304ff44687b

0 references

splash10-0006-9000000000-f99f3bb1427948d03185

0 references

splash10-00di-9000000000-0fd345f1dea8cedcab42

0 references

splash10-00di-9000000000-340ccee799fd50ab5a33

0 references

NMRShiftDB structure ID

30000764

1 reference

Hazardous Substances Data Bank

0 references

0 references

MJ5075000

0 references

0 references

1 reference

28 October 2019

2-HEPTANONE (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

1 reference

Global Substance Registration System

2-heptanone (English)

ECHA Substance Infocard ID

19 November 2016

100.003.426

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.426

27 December 2018

OSHA Occupational Chemical Database ID

Heptan-2-one (English)

quotation

CAS no.: 110-43-0 (English)

110

0 references

FL number

07.002

1 reference

quotation

CAS no.: 110-43-0 (English)

23 January 2021

07.002

1 reference

28 December 2019

METHYL AMYL KETONE (English)

quotation

CAS no.: 110-43-0 (English)

PesticideInfo chemical ID

0 references

1 reference

Human Metabolome Database ID

HMDB0003671

2 references

based on heuristic

inferred from InChIKey

3 references

heptan-2-one (English)

19 October 2016

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

2-heptanone (English)

19 November 2016

1 reference

heptan-2-one (English)

19 October 2016

0 references

1 reference

0 references

1 reference

6 April 2020

1 reference

28 October 2013

0 references

0 references

283

1 reference

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

Microsoft Academic ID (discontinued)

13 May 2021

0 references

0 references

1 reference

3KFG (English)