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

Basic laboratory and industrial chemicals: A CRC quick reference handbook

ACETOPHENONE (English)

20 November 2016

9.29 electronvolt

1 reference

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

no value

1 reference

reference URL

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

30 July 2018

point in time

10 December 2007

Acetophenone, 99% (English)

Regulation (EC) No. 1272/2008

publisher

Fisher Scientific

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)

Chinese peony

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.).

starfruit

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.

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

0 references

0 references

0 references

0 references

0 references

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

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

atsetofenon-b7162c

0 references

HCIS ID

0 references

JECFA number

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

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