acetophenone (Q375112)

ACETOPHENONE (English)

19 October 2016

chemical formula

C₈H₈O

1 reference

ACETOPHENONE (English)

20 November 2016

canonical SMILES

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

1 reference

ACETOPHENONE (English)

20 November 2016

ionization energy

9.29 electronvolt

series ordinal

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

3.02±0.06 debye

uncertainty corresponds to

2 sigma

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

CRC Handbook of Chemistry and Physics (97th edition)

9-60

density

1.0281 gram per cubic centimetre

20 degree Celsius

1 reference

3-6

1.03 gram per cubic centimetre

20 degree Celsius

1 reference

30 July 2018

Acetophenone (English)

uncertainty corresponds to

19.4±0.4 degree Celsius

expanded uncertainty

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-6

20 degree Celsius

3 references

30 July 2018

Acetophenone (English)

Jean-Claude Bradley Open Melting Point Dataset

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

202.1±0.2 degree Celsius

uncertainty corresponds to

101.325 kilopascal

expanded uncertainty

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-6

202 degree Celsius

101.325 kilopascal

2 references

30 July 2018

Acetophenone (English)

Basic laboratory and industrial chemicals: A CRC quick reference handbook

709.5±0.7 kelvin

4.01±0.05 megapascal

373±40 cubic centimetre per mole

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-67

dynamic viscosity

1.681 millipascal second

25 degree Celsius

1 standard atmosphere

phase of matter

liquid

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

0.634 millipascal second

100 degree Celsius

1 standard atmosphere

phase of matter

liquid

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

surface tension

39.04 millinewton per metre

25 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

36.15 millinewton per metre

50 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

33.27 millinewton per metre

75 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

vapor pressure

0.4 hectopascal

20 degree Celsius

1 reference

30 July 2018

Acetophenone (English)

0.049 kilopascal

25 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

15-13

16-17

0.8 hectopascal

30 degree Celsius

1 reference

30 July 2018

Acetophenone (English)

2.9 hectopascal

50 degree Celsius

1 reference

30 July 2018

Acetophenone (English)

CRC Handbook of Chemistry and Physics (97th edition)

6.7 gram per kilogram

20 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

5-139

8.2 gram per kilogram

50 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

5-139

11.7 gram per kilogram

80 degree Celsius

1 reference

5-139

6.9 gram per litre

25 degree Celsius

1 reference

30 July 2018

Acetophenone (English)

partition coefficient water/octanol

1.63

25 degree Celsius

2 references

CRC Handbook of Chemistry and Physics (97th edition)

5-173

30 July 2018

Acetophenone (English)

1.5372

20 degree Celsius

589 nanometre

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

monoclinic crystal system

3-6

crystal system

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

determination method or standard

3-6

flash point

77 degree Celsius

Pensky–Martens closed-cup test

2 references

CRC Handbook of Chemistry and Physics (97th edition)

15-13

16-17

30 July 2018

Acetophenone (English)

autoignition temperature

570 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

15-13

16-17

535 degree Celsius

1 reference

30 July 2018

Acetophenone (English)

lower flammable limit

55 gram per cubic metre

1 reference

30 July 2018

Acetophenone (English)

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

2

2

0

no value

1 reference

reference URL

https://fscimage.fishersci.com/msds/00002.htm

30 July 2018

Acetophenone, 99% (English)

Regulation (EC) No. 1272/2008

10 December 2007

GHS hazard pictogram

GHS07: exclamation mark

GHS precautionary statement

1 reference

30 July 2018

Acetophenone (English)

Studies on the Volatile Compounds of Camellia Flowers

2016

2 references

Volatile Compounds from Flowers

Opuntia ficus-indica

1 reference

Volatile constituents of prickly pear (Opuntia ficus indica Mill., de Castilla variety)

rooibos

1 reference

Volatile components of Rooibos tea (Aspalathus linearis)

Paeonia lactiflora

1 reference

"Essential oil constituents of \"PAEONIAE RADIX\" Peaonia lactiflora Pall. (P. albilora Pall.)."

Daphne odora

1 reference

Volatile components of zinchoge flower (Daphne odora Thunb.).

star fruit

1 reference

Volatile constituents of carambola (Averrhoa carambola L.)

Hypericum hyssopifolium

1 reference

Composition and antifungal activity of essential oils isolated fromHypericum hyssopifolium andHypericum heterophyllum

Elsholtzia ciliata

2 references

Terpenoids from Elsholtzia Species; II1. Constituents of Essential Oil from a New Chemotype of Elsholtzia cristata

Composition of the Essential Oils from the Aerial Parts ofElsholtzia ciliata(Thunb.) Hyland. from Vietnam

Nepeta racemosa

1 reference

Composition of the Essential Oil of Nepeta racemosa Lam.

Amorphophallus cicatricifer

1 reference

Inflorescence odours of Amorphophallus and Pseudodracontium (Araceae)

Aronia melanocarpa

1 reference

Analysis of the volatile constituents of black chokeberry (Aronia melanocarpa Ell.)

Artemisia xanthochloa

1 reference

Prenylated coumarates from Artemisia xanthochroa

Basella alba

1 reference

Volatile flavor components of malabar-nightshade (Basella rubra L.)

bellis perennis

1 reference

Acetylenes and terpenoids of Bellis perennis

Castanopsis cuspidata

1 reference

Volatile constituents of Castanopsis flower

Chamaecrista greggii

1 reference

Cassanes and anthraquinones from Chamaecrista greggii

watermelon

1 reference

Volatile flavor components of watermelon (Citrullus vulgaris).

Euphorbia cyparissias

1 reference

Biologically Active Compounds from the Euphorbiaceae; 2. Two Triterpenoids ofEuphorbia cyparissias

Evernia prunastri

1 reference

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

Gossypium hirsutum

1 reference

Survey of the volatile constituents of cotton lint and waste with regard to byssinosis

Helichrysum ambiguum

1 reference

Composition and antibacterial activity of the essential oils of Helichrysum rupestre and H. ambiguum growing in the Balearic Islands (Part III)

Malpighia punicifolia

1 reference

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

Nepeta nepetella

1 reference

Constituents of Essential Oil of Nepeta nepetella

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

Polygala senega

1 reference

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

Sauromatum venosum

1 reference

Dimethyl oligosulphides, major volatiles released from Sauromatum guttatum and Phallus impudicus

Scutellaria baicalensis

1 reference

Essential oil of Scutellaria baicalensis G.

Strobilanthes auriculatus

1 reference

Constituents of the Essential Oil of Strobilanthes auriculatus

clove

1 reference

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

Tamarix aphylla

1 reference

Antimicrobial Activity and Phytochemical Constituents of Leaf Extracts of Cassia auriculata

cacao

1 reference

Steam volatile aroma constituents of roasted cocoa beans

Trifolium pratense

1 reference

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

Medicago sativa

1 reference

Volatiles from Medicago sativa complex flowers

Vaccinium macrocarpon

1 reference

The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.

Baccharis

1 reference

Plant growth inhibitory activity of p-hydroxyacetophenones and tremetones from Chilean endemic Baccharis species and some analogous: a comparative study

Acca sellowiana

1 reference

Compositional Analysis and Aroma Evaluation of Feijoa Essential Oils from New Zealand Grown Cultivars

Strobilanthes auriculata

1 reference

Constituents of the Essential Oil of Strobilanthes auriculatus

Elsholtzia eriostachya

1 reference

The Essential Oil fromElsholtzia eriostachyavar.pusilla

Mangifera indica

1 reference

Volatile components from mango (Mangifera indica L.) cultivars

Cymbopogon citratus

1 reference

GC-MS evaluation of Cymbopogon citratus (DC) Stapf oil obtained using modified hydrodistillation and microwave extraction methods

Nicotiana tabacum

2 references

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

Extraction of essential oil from discarded tobacco leaves by solvent extraction and steam distillation, and identification of its chemical composition

maize

1 reference

Volatile Flavor Components of Corn Tortillas and Related Products

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

Chrysocephalum ambiguum

1 reference

Composition and antibacterial activity of the essential oils of Helichrysum rupestre and H. ambiguum growing in the Balearic Islands (Part III)

Matsutake

1 reference

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

Dendrobium officinale

1 reference

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

described by source

Great Soviet Encyclopedia (1926–1947)

Encyclopædia Britannica 11th edition

Q43447952

0 references

1911 Encyclopædia Britannica/Acetophenone

0 references

Meyers Konversations-Lexikon, 4th edition (1885–1890)

Great Soviet Encyclopedia (1926–1947)

Q112753740

0 references

0 references

1 reference

1 reference

Medical Subject Headings

15 March 2018

0 references

2914.39.10

0 references

has part(s)

benzoyl

quantity

1

0 references

acetyl

quantity

1

0 references

different from

benzophenone

0 references

Commons category

Acetophenone

0 references

Identifiers

GND ID

4141249-7

1 reference

National Library of Israel Names and Subjects Authority File

1 reference

Library of Congress authority ID

sh2005002607

subject named as

Acetophenone

1 reference

Integrated Authority File

InChI

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

1 reference

ACETOPHENONE (English)

20 November 2016

2 references

ACETOPHENONE (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

98-86-2

2 references

Global Substance Registration System

acetophenone (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=98-86-2

8 April 2021

1 reference

Acetophenone (English)

20 November 2016

2 references

ACETOPHENONE (English)

20 November 2016

ChEBI ID

27632

mapping relation type

2 references

ACETOPHENONE (English)

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3

1 reference

ACETOPHENONE (English)

20 November 2016

2 references

inferred from InChIKey

Cambridge Structural Database

1 reference

1 reference

10 January 2023

1 reference

Cambridge Structural Database

MSBNK-Fac_Eng_Univ_Tokyo-JP001491

10 January 2023

based on heuristic

InChIKey match

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001661

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP003413

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP009602

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP003538

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007137

0 references

SPLASH

splash10-0a6r-9800000000-5d4a6da80c6c3c5f5fbb

0 references

splash10-0a6r-8900000000-72a8572391def7a73d00

0 references

splash10-0pdi-9600000000-d687340f90f63f7dc2db

0 references

splash10-0pdi-9500000000-3f26e145dcae1ef98802

0 references

splash10-0a6r-9600000000-558d4c95783742599522

0 references

splash10-0adi-9700000000-6f2471f8e98524af3f5b

0 references

splash10-0fr2-1900000000-a41b0cedd919c67e41f4

0 references

NMRShiftDB structure ID

10008725

1 reference

0 references

0 references

1 reference

Hazardous Substances Data Bank

1 reference

28 October 2019

Acetophenone (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

acetophenone (English)

ECHA Substance Infocard ID

20 November 2016

100.002.462

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.462

27 December 2018

OSHA Occupational Chemical Database ID

Acetophenone (English)

quotation

CAS no.: 98-86-2 (English)

777

0 references

FL number

07.004

1 reference

quotation

CAS no.: 98-86-2 (English)

23 January 2021

07.004

1 reference

28 December 2019

ACETOPHENONE (English)

quotation

CAS no.: 98-86-2 (English)

PesticideInfo chemical ID

0 references

1 reference

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

Human Metabolome Database ID

HMDB0033910

2 references

based on heuristic

inferred from InChIKey

3 references

acetophenone (English)

19 October 2016

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

acetophenone (English)

20 November 2016

0 references

1 reference

Encyclopedia of China (Third Edition) ID

0 references

1 reference

0 references

0 references

1 reference

28 October 2013

Gran Enciclopèdia Catalana ID

acetofenona

0 references

Gran Enciclopèdia Catalana ID (former scheme)

0074265

0 references

Great Russian Encyclopedia Online ID (old version)

1842988

subject named as

АЦЕТОФЕНОН

reason for deprecated rank

redirected to GRE portal

0 references

Great Russian Encyclopedia portal ID

0 references

0 references

806

1 reference

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

https://docs.openalex.org/download-snapshot/snapshot-data-format

13 May 2021

Lex ID

acetofenon

0 references

Microsoft Academic ID

0 references

1 reference

26 January 2022

1 reference

1ZK4 (English)

19 October 2016

1 reference

1ZK1 (English)

19 October 2016

1 reference