5-Methyl-3-heptanone (Q20968579)

5-methyl-3-heptanone exposure

inferred from InChI

associated hazard

0 references

has effect

5-methyl-3-heptanone exposure

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

chemical formula

C₈H₁₆O

1 reference

inferred from SMILES

canonical SMILES

O=C(CC)CC(C)CC

0 references

density

0.82±0.01 gram per cubic centimetre

temperature

20±1 degree Celsius

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

melting point

−70±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

boiling point

315±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

vapor pressure

2±1 millimetre of mercury

temperature

68±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

flash point

138±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

NIOSH Pocket Guide ID

0418

0 references

time-weighted average exposure limit

130±1 milligram per cubic metre

applies to jurisdiction

United States of America

duration

10±1 hour

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

immediately dangerous to life or health

524±1 milligram per cubic metre

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

found in taxon

Platynereis dumerilii

1 reference

Sex pheromone in a marine polychaete: Determination of the chemical structure

Nepeta racemosa

1 reference

Composition of the Essential Oil of Nepeta racemosa Lam.

Thymus longicaulis

3 references

The Occurrence of Three Chemotypes of Thymus longicaulis C. Presl. subsp. longicaulis in the Same Population

Composition of the Essential Oil ofThymus longicaulisC. Presl. var.subisophyllus(Borbas) Jalas from Turkey

Composition of the Essential Oils of Two Varieties ofThymus longicaulisC. Presl. subsp.chaubardii(Boiss. et Heldr. ex Reichb. fil.) Jalas

Origanum acutidens

1 reference

Essential Oil ofOriganum acutidens(Hand.-Mazz.) letswaart

Thymus thracicus

1 reference

Essential Oil ofThymus thracicusVelen var.longidens(Velen) Jalas

Thymus zygioides

1 reference

Essential Oils from Four Chemotypes ofThymus zygioidesGriseb. var.lycaonicus(Celak) Ronniger

tomato

1 reference

Relationships between the volatile compounds evaluated by solid phase microextraction and the thermal treatment of tomato juice: optimization of the blanching parameters

Thymus sibthorpii

1 reference

Characterization of the Essential Oil of Thymus sibthorpii Bentham

Thymus

1 reference

The Essential Oil of Thymus bornmuelleri Velen.

has characteristic

Class II combustible liquid

1 reference

http://www.cdc.gov/niosh/npg/npgd0418.html

Identifiers

InChI

InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3

0 references

0 references

CAS Registry Number

541-85-5

2 references

http://www.cdc.gov/niosh/npg/npgd0418.html

https://commonchemistry.cas.org/detail?cas_rn=541-85-5

8 April 2021

2 references

26 December 2021

ChEBI ID

195858

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3

SureChEMBL ID

SCHEMBL104058

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP007038

1 reference

MassBank accession ID

0 references

NMRShiftDB structure ID

20097616

1 reference

ICSC ID

1391

0 references

RTECS number

MJ7350000

0 references

0 references

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.995

retrieved

27 December 2018

title

5-methylheptan-3-one (English)

ECHA Substance Infocard ID

CAS no.: 541-85-5 (English)

100.007.995

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.995

retrieved

27 December 2018

title

5-methylheptan-3-one (English)

CAS no.: 541-85-5 (English)

FL number

07.182

1 reference

CAS no.: 541-85-5 (English)

23 January 2021

07.182

1 reference

28 December 2019

METHYLHEPTANONE (English)

PesticideInfo chemical ID

CAS no.: 541-85-5 (English)

PRI3095

0 references

Human Metabolome Database ID

HMDB0302765

2 references

inferred from InChIKey

KNApSAcK ID

C00062138

2 references

inferred from InChIKey

UNII

9RQ13D247K

1 reference