(Q9545681)

Pentylbenzene (English)

19 October 2016

chemical formula

C₁₁H₁₆

1 reference

Pentylbenzene (English)

19 October 2016

canonical SMILES

CCCCCC1=CC=CC=C1

1 reference

Pentylbenzene (English)

19 October 2016

melting point

−75.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Apium graveolens

5 references

GC/MS and GC/FTIR Analysis of the Essential Oil of Celery Seed

Volatile aroma constituents of celery

Free and glycosidically bound volatile compounds in fresh celery (Apium graveolens L.)

Kessane in the Indian Celery Seed Oils

COMPOSITION AND ANTIMICROBIAL ACTIVITY OF CELERY (APIUM GRAVEOLENS) LEAF AND ROOT EXTRACTS OBTAINED WITH LIQUID CARBON DIOXIDE

Polygala senega

1 reference

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

Angelica gigas

2 references

Distinguishing Radix Angelica sinensis from different regions by HS-SFME/GC-MS.

Bioactivity-guided fractionation and GC/MS fingerprinting of Angelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity.

Ligusticum chuanxiong

1 reference

Analysis of the volatile compounds in Ligusticum chuanxiong Hort. using HS-SPME-GC-MS.

Conioselinum anthriscoides

1 reference

Analysis of the volatile compounds in Ligusticum chuanxiong Hort. using HS-SPME-GC-MS.

Ligusticum striatum

1 reference

Analysis of the volatile compounds in Ligusticum chuanxiong Hort. using HS-SPME-GC-MS.

Identifiers

InChI

InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

1 reference

Pentylbenzene (English)

19 October 2016

1 reference

Global Substance Registration System

Pentylbenzene (English)

19 October 2016

2 references

amylbenzene (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=538-68-1

9 April 2021

1 reference

n-Amylbenzene (English)

19 October 2016

2 references

Pentylbenzene (English)

19 October 2016

ChEBI ID

176693

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP012284

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP008572

0 references

SPLASH

splash10-006t-5900000000-9b44dd941f1ca9387f81

0 references

NMRShiftDB structure ID

20025123

1 reference

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

0 references

2 references

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

amylbenzene (English)

ECHA Substance Infocard ID

19 October 2016

100.007.911

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.911

27 December 2018

Human Metabolome Database ID

Pentylbenzene (English)

quotation

CAS no.: 538-68-1 (English)

HMDB0059834

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00062120

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

amylbenzene (English)

19 October 2016

Google Knowledge Graph ID

PDB ligand ID

3H2

0 references

0 references

1 reference

4W58 (English)