allyl alcohol (Q414553)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

Structural formula of allyl alcohol.svg
219 × 75; 5 KB

0 references

image of molecular model or crystal lattice model

Allyl-alcohol-3D-balls.png
1,478 × 1,000; 187 KB

depicts

ball-and-stick model

0 references

mass

58.042 dalton

1 reference

ALLYL ALCOHOL (English)

19 October 2016

has effect

allyl alcohol exposure

1 reference

chemical formula

C₃H₆O

1 reference

ALLYL ALCOHOL (English)

19 October 2016

canonical SMILES

C=CCO

1 reference

ALLYL ALCOHOL (English)

19 October 2016

ionization energy

9.63 electronvolt

series ordinal

1

1 reference

9.67 electronvolt

series ordinal

1

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

electric dipole moment

1.6±0.08 debye

uncertainty corresponds to

2 sigma

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

uncertainty corresponds to

9-60

1.55±0.08 debye

2 sigma

molecule conformation

synclinal conformation

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

9-66

density

0.85 gram per cubic centimetre

20 degree Celsius

2 references

9 March 2020

0.8540 gram per cubic centimetre

20 degree Celsius

reason for preferred rank

most precise value

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-12

melting point

−200 degree Fahrenheit

1 reference

−129.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−129 degree Celsius

2 references

CRC Handbook of Chemistry and Physics (97th edition)

3-12

9 March 2020

205 degree Fahrenheit

760 torr

1 reference

96.9±0.5 degree Celsius

reason for preferred rank

101.325 kilopascal

most precise value

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

3-12

539.8±0.6 kelvin

5.76±0.04 megapascal

222±9 cubic centimetre per mole

uncertainty corresponds to

expanded uncertainty

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-67

dynamic viscosity

1.218 millipascal second

25 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

0.759 millipascal second

50 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

0.505 millipascal second

75 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-243

surface tension

26.63 millinewton per metre

10 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

25.30 millinewton per metre

25 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

23.06 millinewton per metre

50 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

20.79 millinewton per metre

75 degree Celsius

1 standard atmosphere

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

6-190

vapor pressure

17 millimetre of mercury

68 degree Fahrenheit

1 reference

23.9 hectopascal

20 degree Celsius

1 reference

9 March 2020

3.14 kilopascal

25 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

16-17

44.1 hectopascal

partition coefficient water/octanol

30 degree Celsius

1 reference

9 March 2020

77.7 hectopascal

40 degree Celsius

1 reference

9 March 2020

132 hectopascal

50 degree Celsius

1 reference

9 March 2020

0.17

25 degree Celsius

2 references

CRC Handbook of Chemistry and Physics (97th edition)

5-173

9 March 2020

15.5

25 degree Celsius

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

5-88

1.4135

20 degree Celsius

589 nanometre

1 reference

CRC Handbook of Chemistry and Physics (97th edition)

Pensky–Martens closed-cup test

3-12

flash point

70 degree Fahrenheit

determination method

1 reference

Pensky–Martens closed-cup test

21 degree Celsius

determination method

2 references

CRC Handbook of Chemistry and Physics (97th edition)

16-17

9 March 2020

autoignition temperature

378 degree Celsius

2 references

http://www.cdc.gov/niosh/ipcsneng/neng0095.html

CRC Handbook of Chemistry and Physics (97th edition)

16-17

375 degree Celsius

1 reference

9 March 2020

lower flammable limit

2.5 volume percent

3 references

CRC Handbook of Chemistry and Physics (97th edition)

16-17

9 March 2020

upper flammable limit

18.0 volume percent

3 references

CRC Handbook of Chemistry and Physics (97th edition)

16-17

9 March 2020

safety classification and labelling

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

3

3

0

no value

1 reference

short-term exposure limit

English Wikipedia

NIOSH Pocket Guide ID

0017

0 references

10 milligram per cubic metre

United States of America

Poland

15 minute

skin absorption

1 reference

4 parts per million

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

2 parts per million

Finland

France

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

12.1 milligram per cubic metre

Hungary

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

5 parts per million

Iceland

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

2 milligram per cubic metre

Russia

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

6 parts per million

Sweden

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

time-weighted average exposure limit

5 milligram per cubic metre

United States of America

8 hour

skin absorption

1 reference

2 parts per million

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

0.5 parts per million

Finland

Peru

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

0.2 parts per million

France

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

4.8 milligram per cubic metre

Hungary

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

1 parts per million

Japan

Russia

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

2 milligram per cubic metre

Poland

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_6

immediately dangerous to life or health

47.6 milligram per cubic metre

1 reference

minimal lethal dose

1,000±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

1,000±1 parts per million

3.5±0.1 hour

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

0.43±0.01 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

51±1 milligram per kilogram

frog

parenteral route of administration

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

100±1 milligram per kilogram

subcutaneous injection

rabbit

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

4.27±0.01 milligram per kilogram

dog

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

median lethal dose (LD50)

1±1 gram per cubic metre

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

500±1 milligram per cubic metre

2±1 hour

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

76±1 parts per million

8±1 hour

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

2 references

165±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

2 references

250±1 parts per million

4±1 hour

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

60±1 milligram per kilogram

intraperitoneal injection

laboratory mouse

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

37±1 milligram per kilogram

intraperitoneal injection

laboratory rat

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

78±1 milligram per kilogram

intravenous injection

laboratory mouse

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

70±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

75±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

96±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

52±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

70±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

99±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

64±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

89±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

45±1 milligram per kilogram

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1 reference

66±1 milligram per kilogram

mammal

1 reference

http://www.cdc.gov/niosh-rtecs/BA4D7038.html#modalIdString_CDCTable_3

1,000±1 parts per million

1±1 hour

1 reference

207±1 parts per million

2±1 hour

1 reference

1,000±1 parts per million

3.5±0.1 hour

1 reference

1,000±1 parts per million

4±1 hour

1 reference

1,060±1 parts per million

1±1 hour

1 reference

found in taxon

Garlic (allium sativum)

1 reference

Volatile Compounds in Stir-Fried Garlic

described by source

Technical Encyclopedia, 1st edition

statement is subject of

Q87332753

0 references

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

statement is subject of

Q116815731

0 references

Encyclopædia Britannica 11th edition

statement is subject of

1911 Encyclopædia Britannica/Allyl Alcohol

0 references

has characteristic

Class IB flammable liquid

1 reference

MCN code

2905.29.10

0 references

Commons category

Allyl alcohol

0 references

Identifiers

GND ID

4307444-3

1 reference

National Library of Israel J9U ID

German Wikipedia

987007599901005171

1 reference

National Library of Israel Names and Subjects Authority File

Library of Congress authority ID

sh2011002561

1 reference

InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2

German Wikipedia

InChI

1 reference

ALLYL ALCOHOL (English)

XXROGKLTLUQVRX-UHFFFAOYSA-N

19 October 2016

InChIKey

2 references

ALLYL ALCOHOL (English)

19 October 2016

ChEBI release 2020-09-01

1 reference

allyl alcohol (English)

19 October 2016

1 reference

Allyl alcohol (English)

19 October 2016

1 reference

ALLYL ALCOHOL (English)

19 October 2016

Reaxys registry number

605307

1 reference

allyl alcohol (English)

19 October 2016

ChEBI ID

16605

mapping relation type

1 reference

allyl alcohol (English)

19 October 2016

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP007106

ALLYL ALCOHOL (English)

19 October 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005407

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007313

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008080

0 references

SPLASH

splash10-0a6r-9000000000-50896c7e8c3df69a58ba

0 references

splash10-0a6r-9000000000-cdac996ba92e437d2490

0 references

splash10-0a4i-9000000000-4d05af9aa9115ca820bc

0 references

0 references

0 references

1098

1 reference

http://www.cdc.gov/niosh/ipcsneng/neng0095.html

Kemler code

663

0 references

RTECS number

BA5075000

0 references

ZVG number

24570

1 reference

Hazardous Substances Data Bank

1 reference

28 October 2019

Allyl alcohol (English)

10 May 2021

1 reference

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

DSSTOX compound identifier

0 references

0 references

203-470-7

1 reference

Global Substance Registration System

UNII

3W678R12M0

allyl alcohol (English)

ECHA Substance Infocard ID

19 October 2016

100.003.156

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.156

27 December 2018

PesticideInfo chemical ID

Allyl alcohol (English)

quotation

CAS no.: 107-18-6 (English)

PRI1088

0 references

AICS Chemical ID (BEING DELETED)

2709

0 references

Human Metabolome Database ID

HMDB0031652

1 reference

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00054002

1 reference

based on heuristic

inferred from InChIKey

UNII

3W678R12M0

1 reference

Global Substance Registration System

UNII

3W678R12M0

allyl alcohol (English)

19 October 2016

0 references

1 reference

Encyclopædia Britannica Online ID

0 references

0 references

0 references

science/allylic-alcohol

subject named as

allylic alcohol

0 references

1 reference

28 October 2013

Gran Enciclopèdia Catalana ID

propenol

0 references

Gran Enciclopèdia Catalana ID (former scheme)

0134967

0 references

Great Russian Encyclopedia Online ID (old version)

1813894

subject named as

АЛЛИЛОВЫЙ СПИРТ

reason for deprecated rank

redirected to GRE portal

0 references

Great Russian Encyclopedia portal ID

allilovyi-spirt-bf7a6e

0 references

0 references

1 reference

9 July 2020

Microsoft Academic ID

0 references

0 references

1 reference

26 January 2022

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

1 reference

26 January 2022

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

OSHA Occupational Chemical Database ID

0 references

1 reference

5F90 (English)

19 October 2016

1 reference