anisole (Q312244)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Anisol.svg
104 × 148; 7 KB

1 reference

German Wikipedia

mass

108.058 dalton

1 reference

ANISOLE (English)

17 November 2016

1 reference

14 March 2020

C₇H₈O

1 reference

ANISOLE (English)

17 November 2016

COC1=CC=CC=C1

1 reference

ANISOLE (English)

17 November 2016

8.21 electronvolt

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

1.38±0.07 debye

2 sigma

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

CRC Handbook of Chemistry and Physics (97th edition)

9-60

density

0.9940 gram per cubic centimetre

20 degree Celsius

1 reference

3-28

melting point

−37.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−37.3±0.2 degree Celsius

reason for preferred rank

expanded uncertainty

most precise value

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-28

boiling point

153.6±0.2 degree Celsius

101.325 kilopascal

expanded uncertainty

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-28

646.1±0.2 kelvin

4.2±0.1 megapascal

355±12 cubic centimetre per mole

expanded uncertainty

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-67

dynamic viscosity

1.42 millipascal second

15 degree Celsius

unknown value

1 reference

14 March 2020

1.056 millipascal second

25 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

0.747 millipascal second

50 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

0.554 millipascal second

75 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

0.427 millipascal second

100 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

surface tension

35.10 millinewton per metre

25 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

32.09 millinewton per metre

50 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

29.08 millinewton per metre

75 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

vapor pressure

3.2 hectopascal

CRC Handbook of Chemistry and Physics (97th edition)

20 degree Celsius

1 reference

14 March 2020

4.72 hectopascal

25 degree Celsius

2 references

14 March 2020

16-17

13.3 hectopascal

CRC Handbook of Chemistry and Physics (97th edition)

42 degree Celsius

1 reference

14 March 2020

53.1 hectopascal

70 degree Celsius

1 reference

14 March 2020

2.03 gram per kilogram of solvent

20 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

5-139

0.14 gram per litre

20 degree Celsius

1 reference

14 March 2020

1.84 gram per kilogram of solvent

40 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

5-139

2.95 gram per kilogram of solvent

81 degree Celsius

1 reference

5-140

unknown value

unknown value

soluble

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-28

unknown value

unknown value

soluble

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-28

unknown value

unknown value

very putona

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-28

unknown value

unknown value

very soluble

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

partition coefficient water/octanol

3-28

2.11

25 degree Celsius

2 references

CRC Handbook of Chemistry and Physics (97th edition)

5-173

14 March 2020

1.5174

20 degree Celsius

589 nanometre

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

determination method or standard

3-28

flash point

52 degree Celsius

Pensky–Martens closed-cup test

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

determination method or standard

16-17

41 degree Celsius

Pensky–Martens closed-cup test

1 reference

14 March 2020

autoignition temperature

475 degree Celsius

2 references

CRC Handbook of Chemistry and Physics (97th edition)

16-17

14 March 2020

lower flammable limit

1.2 volume percent

1 reference

14 March 2020

upper flammable limit

6.3 volume percent

1 reference

14 March 2020

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

median lethal dose (LD50)

English Wikipedia

3.7 gram per kilogram

applies to taxon

laboratory rat

route of administration

1 reference

14 March 2020

1 reference

Volatile compounds from androconial organs of danaine and ithomiine butterflies

Manilkara zapota

1 reference

Volatile flavor components of sapodilla fruit (Achras sapota L)

Peristeria elata

1 reference

Volatile Constituents ofPeristeria elata(Orchidaceae)

Jerusalem artichoke

1 reference

Aroma volatiles of Cynara scolymus and Helianthus tuberosus

Achillea abrotanoides

1 reference

Volatile constituents of Achillea abrotanoides in relation to their infrageneric variation

Ocimum gratissimum

1 reference

Genetic diversity of Ocimum gratissimum L. based on volatile oil constituents, flavonoids and RAPD markers

Physarum polycephalum

1 reference

Odorous metabolites of an acellular slime mold, Physarum polycephalum Schw., and a basidiomycete, Phallus impudicus Pers.

Sauromatum venosum

1 reference

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

Tuber melanosporum

1 reference

Principal constituents of black truffle (Tuber melanosporum) aroma

Zizania aquatica

1 reference

Wild Rice Hull Antioxidants†

Aspergillus candidus

1 reference

Species-specific production of microbial volatile organic compounds (MVOC) by airborne fungi from a compost facility.

Phallus impudicus

1 reference

Odorous metabolites of an acellular slime mold, Physarum polycephalum Schw., and a basidiomycete, Phallus impudicus Pers.

Nymphaea amazonum

1 reference

The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators

Nymphaea lasiophylla

1 reference

The floral scents of Nymphaea subg. Hydrocallis (Nymphaeaceae), the New World night-blooming water lilies, and their relation with putative pollinators

Achillea millefolium

1 reference

Volatile constituents of Achillea millefolium in relation to their infraspecific variation

described by source

Great Soviet Encyclopedia (1926–1947)

statement is subject of

Q43439634

0 references

Brockhaus and Efron Encyclopedic Dictionary

statement is subject of

0 references

0 references

0 references

0 references

Anisole

0 references

Identifiers

GND ID

4319568-4

1 reference

InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

German Wikipedia

InChI

1 reference

ANISOLE (English)

17 November 2016

2 references

ANISOLE (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

100-66-3

2 references

Global Substance Registration System

anisole (English)

17 November 2016

https://commonchemistry.cas.org/detail?cas_rn=100-66-3

10 April 2021

1 reference

Anisole (English)

17 November 2016

2 references

ANISOLE (English)

17 November 2016

Reaxys registry number

506892

1 reference

anisole (English)

5 October 2016

2964

0 references

ChEBI ID

16579

mapping relation type

2 references

ANISOLE (English)

17 November 2016

International Chemical Identifier

InChI

InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

1 reference

ANISOLE (English)

17 November 2016

2 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001826

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP009170

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP004694

0 references

SPLASH

splash10-0ar0-9500000000-a1231ee8ae74f750d865

0 references

splash10-0ar0-9300000000-03da541e1b0fc350901b

0 references

NMRShiftDB structure ID

10008651

1 reference

Hazardous Substances Data Bank

0 references

0 references

0 references

1 reference

28 October 2019

ANISOLE (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

anisole (English)

ECHA Substance Infocard ID

17 November 2016

100.002.615

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Anisole (English)

CAS no.: 100-66-3 (English)

FL number

04.032

1 reference

quotation

CAS no.: 100-66-3 (English)

23 January 2021

04.032

1 reference

28 December 2019

ANISOLE (English)

CAS no.: 100-66-3 (English)

Human Metabolome Database ID

HMDB0033895

2 references

based on heuristic

KNApSAcK ID

C00052810

2 references

based on heuristic

2 references

Global Substance Registration System

anisole (English)

17 November 2016

Natural Product Atlas ID

NPA018776

2 references

based on heuristic

0 references

1 reference

Brockhaus Enzyklopädie online ID

English Wikipedia

anisol

0 references

methylphenylether

reason for deprecated rank

redirect

0 references

Elhuyar ZTH ID

020383

0 references

Encyclopædia Britannica Online ID

science/anisole

subject named as

anisole

0 references

Encyclopedia of China (Third Edition) ID

0 references

1 reference

28 October 2013

Gran Enciclopèdia Catalana ID

anisole

0 references

Gran Enciclopèdia Catalana ID (former scheme)

0078626

0 references

Great Russian Encyclopedia Online ID (old version)

1823659

subject named as

АНИЗОЛ

reason for deprecated rank

redirected to GRE portal

0 references

Great Russian Encyclopedia portal ID

anizol-71b2e0

0 references

JECFA number

1241

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

0 references

1 reference