butyl phenyl ketone (Q3304162)

Valerophenone (English)

6 October 2016

chemical formula

C₁₁H₁₄O

1 reference

Valerophenone (English)

19 November 2016

canonical SMILES

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

1 reference

Valerophenone (English)

19 November 2016

melting point

−9.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

safety classification and labelling

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

0

1

0

no value

1 reference

reference URL

https://www.sigmaaldrich.com/MSDS/MSDS/DisplayMSDSPage.do?country=US&language=en&productNumber=V659&brand=ALDRICH&PageToGoToURL=https://www.sigmaaldrich.com/catalog/product/aldrich/v659?lang=pl

publisher

Sigma-Aldrich

Valerophenone (English)

point in time

8 July 2014

14 July 2018

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

1 reference

Evernia prunastri

1 reference

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

Ligusticum chuanxiong

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Apium graveolens

1 reference

Kessane in the Indian Celery Seed Oils

Conioselinum anthriscoides

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Ligusticum striatum

1 reference

Analysis of the chemical composition, acute toxicity and skin sensitivity of essential oil from rhizomes of Ligusticum chuanxiong

Identifiers

InChI

InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

1 reference

Valerophenone (English)

19 November 2016

2 references

Valerophenone (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

1009-14-9

2 references

Global Substance Registration System

butyl phenyl ketone (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=1009-14-9

10 April 2021

1 reference

Valerophenone (English)

19 November 2016

2 references

Valerophenone (English)

19 November 2016

Reaxys registry number

1907717

1 reference

valerophenone (English)

6 October 2016

ChEBI ID

36812

mapping relation type

2 references

VALEROPHENONE (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

1 reference

VALEROPHENONE (English)

19 November 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP001665

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007149

0 references

SPLASH

splash10-0a6r-6950000000-19cf24e12d8e892de5bf

0 references

NMRShiftDB structure ID

20200734

1 reference

DSSTox substance ID

DTXSID0061406

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

butyl phenyl ketone (English)

ECHA Substance Infocard ID

19 November 2016

100.012.516

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.012.516

27 December 2018

Human Metabolome Database ID

Valerophenone (English)

quotation

CAS no.: 1009-14-9 (English)

HMDB0031208

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00056271

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

butyl phenyl ketone (English)

19 November 2016