heptyl alcohol (Q113820)

From Wikidata

Jump to navigation Jump to search

alcohol

• 1-heptanol

edit

Language	Label	Description	Also known as
English	heptyl alcohol	alcohol	1-heptanol

Statements

instance of

type of chemical entity

0 references

subclass of

fatty alcohol

0 references

primary alcohol

0 references

Heptanoles

0 references

chemical structure

Heptan-1-ol Skelett.svg
309 × 48; 3 KB

1 reference

imported from Wikimedia project

German Wikipedia

image of molecular model or crystal lattice model

1-Heptanol-3D-balls.png
1,726 × 537; 156 KB

depicts

ball-and-stick model

0 references

1-Heptanol-3D-vdW.png
1,350 × 559; 140 KB

depicts

space-filling model

0 references

mass

116.12 dalton

1 reference

stated in

PubChem

PubChem CID

8129

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

chemical formula

C₇H₁₆O

1 reference

stated in

PubChem

PubChem CID

8129

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

canonical SMILES

CCCCCCCO

1 reference

stated in

PubChem

PubChem CID

8129

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

ionization energy

9.84 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

melting point

−34 degree Celsius

2 references

stated in

Jean-Claude Bradley Open Melting Point Dataset

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

176.45 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

safety classification and labelling

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

NFPA Health

2

NFPA Fire

2

NFPA Instability

0

NFPA Special

no value

1 reference

imported from Wikimedia project

English Wikipedia

found in taxon

Prunus dulcis

1 reference

stated in

Components of almond hulls: possible navel orangeworm attractants and growth inhibitors

Opuntia ficus-indica

1 reference

stated in

Volatile constituents of prickly pear (Opuntia ficus indica Mill., de Castilla variety)

rooibos

1 reference

stated in

Volatile components of Rooibos tea (Aspalathus linearis)

maize

2 references

stated in

Volatiles of corn tassels: possible corn ear worm attractants

stated in

Volatiles of corn kernels and husks: possible corn ear worm attractants

Capillipedium parviflorum

1 reference

stated in

Volatile constituents of Capillipedium parviflorum

Achillea grandifolia

1 reference

stated in

Volatile Constituents of Achillea grandifolia

Actinidia chinensis

1 reference

stated in

Volatile constituents of kiwi fruit (Actinidia chinensis Planch.)

Bellis perennis

1 reference

stated in

Acetylenes and terpenoids of Bellis perennis

Cedronella canariensis

1 reference

stated in

Chavicol β-d-glucoside, a phenylpropanoid heteroside, benzyl-β-d-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis

Eupatorium cannabinum

1 reference

stated in

Analysis of the Essential Oil of Eupatorium cannabinum by Combined Gas Chromatography-Mass Spectrometry Using Electron Impact and Negative Ion Chemical Ionization

Hamamelis virginiana

1 reference

stated in

Study on the composition of the volatile fraction of Hamamelis virginiana

Juglans nigra

1 reference

stated in

Volatile Constituents of the Essential Oil of the Peels ofJuglans nigraL.

Pelargonium vitifolium

1 reference

stated in

Composition of the Essential Oil ofPelargonium vitifolium(L.) L'Hérit. (Geraniaceae)

Polygala senega

1 reference

stated in

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

Triticum aestivum

1 reference

stated in

Volatile compounds from triticum aestivum

Vitex agnus-castus

1 reference

stated in

Composition of the essential fruit oil of Vitex agnus-castus

Akebia trifoliata

1 reference

stated in

Constituents of essential oil from the dried fruits and stems of Akebia quinata (THUNB.) DECNE.

Zanthoxylum schinifolium

1 reference

stated in

Aroma constituents and alkylamides of red and green huajiao (Zanthoxylum bungeanum and Zanthoxylum schinifolium).

Monarda fistulosa

1 reference

stated in

[The volatile oil of Monarda fistulosa and incorporation of labeled CO 2 into its components]

Mangifera indica

2 references

stated in

Volatile components from mango (Mangifera indica L.) cultivars

stated in

Glycosidically-bound aroma volatile compounds in the skin and pulp of ‘Kensington Pride’ mango fruit at different stages of maturity

Prunus avium

2 references

stated in

Free and glycosidically bound aroma compounds in cherry (Prunus avium L.).

stated in

Components of almond hulls: possible navel orangeworm attractants and growth inhibitors

Magnolia officinalis

1 reference

stated in

Comparison of the volatile constituents of different parts of Cortex magnolia officinalis by GC-MS combined with chemometric resolution method.

tomato

3 references

stated in

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

stated in

Effect of autochthonous lactic acid bacteria starters on health-promoting and sensory properties of tomato juices

stated in

Differentiation of the volatile profile of microbiologically contaminated canned tomatoes by dynamic headspace extraction followed by gas chromatography-mass spectrometry analysis

Carica papaya

1 reference

stated in

Volatile components of papaya (Carica papaya L., Solo variety)

Magnolia obovata

1 reference

stated in

Composition of the Bark Oil of Magnolia obovata Thunb.

Mimusops elengi

1 reference

stated in

Volatile Components of Mimusops elengi L. Flowers

Homo sapiens

1 reference

stated in

Impact of a synbiotic food on the gut microbial ecology and metabolic profiles

Commons category

1-Heptanol

0 references

Identifiers

InChI

InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

1 reference

stated in

PubChem

PubChem CID

8129

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

8129

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

stated in

ChEBI release 2019-11-01

CAS Registry Number

111-70-6

2 references

stated in

Global Substance Registration System

UNII

8JQ5607IO5

language of work or name

English

title

heptyl alcohol (English)

retrieved

17 November 2016

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=111-70-6

ChemSpider ID

7837

1 reference

stated in

ChemSpider

ChemSpider ID

7837

language of work or name

English

title

Heptan-1-ol (English)

retrieved

17 November 2016

PubChem CID

8129

2 references

stated in

PubChem

PubChem CID

8129

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

ChEBI ID

43003

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

ChEMBL ID

CHEMBL273459

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL273459

language of work or name

English

title

1-HEPTANOL (English)

retrieved

17 November 2016

SureChEMBL ID

SCHEMBL2077

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

UniChem compound ID

480026

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP000283

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001329

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006104

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006853

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005209

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005327

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005683

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP007701

0 references

SPLASH

splash10-0006-9500000000-d5f79579e8c1fb0a32e5

0 references

splash10-0002-9200000000-b7cf5d50ed7cd0f902e2

0 references

splash10-0596-9500000000-7ad1437199575e596cd7

0 references

splash10-0abc-9500000000-ceab83b0d081a68b9a5f

0 references

splash10-006t-9500000000-a85a7669aa0611f3ad11

0 references

splash10-0596-9500000000-9bf66315002a7c811643

0 references

splash10-052f-9500000000-89db7fcf8c9317d5c811

0 references

splash10-0abc-9500000000-813bf5bdd7bd19f566f9

0 references

NMRShiftDB structure ID

10008653

1 reference

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

ICSC ID

1082

0 references

CAMEO Chemicals ID

8713

0 references

ZVG number

570002

0 references

HSDB ID

1077

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

1077

publication date

28 October 2019

title

1-HEPTANOL (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID8021937

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID601937

0 references

NSC number

3703

0 references

EC number

203-897-9

1 reference

stated in

Global Substance Registration System

UNII

8JQ5607IO5

language of work or name

English

title

heptyl alcohol (English)

retrieved

17 November 2016

ECHA Substance Infocard ID

100.003.544

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.003.544

retrieved

27 December 2018

title

Heptan-1-ol (English)

quotation

CAS no.: 111-70-6 (English)

FL number

02.021

1 reference

quotation

CAS no.: 111-70-6 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

02.021

CosIng number

40121

1 reference

stated in

CosIng database

CosIng number

40121

retrieved

28 December 2019

title

HEPTANOL (English)

quotation

CAS no.: 111-70-6 (English)

PesticideInfo chemical ID

PRI58

0 references

Cannabis Database ID

000678

1 reference

stated in

Cannabis Database

AICS Chemical ID (BEING DELETED)

3006

0 references

MeSH descriptor ID

D019850

subject named as

Heptanol

0 references

MeSH tree code

D02.033.415.500

0 references

D10.289.500

0 references

Human Metabolome Database ID

HMDB0031479

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

KNApSAcK ID

C00035700

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

C00062108

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

UNII

8JQ5607IO5

2 references

stated in

Global Substance Registration System

UNII

8JQ5607IO5

language of work or name

English

title

heptyl alcohol (English)

retrieved

17 November 2016

matched by identifier from

InChIKey

InChIKey

BBMCTIGTTCKYKF-UHFFFAOYSA-N

LIPID MAPS ID

LMFA05000122

1 reference

stated in

LIPID MAPS

reference URL

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

30 June 2018

PDB ligand ID

HE4

0 references

Freebase ID

/m/02nc7q

1 reference

stated in

Freebase Data Dumps

publication date

28 October 2013

HCIS ID

2355

0 references

J-GLOBAL ID

200907021510670849

0 references

JECFA database ID

3038

0 references

JECFA number

94

1 reference

stated in

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

retrieved

13 May 2021

Microsoft Academic ID

2780548621

0 references

Nikkaji ID

J2.457K

0 references

PDB structure ID

1ZNG

1 reference

stated in

Protein Data Bank

PDB structure ID

1ZNG

language of work or name

English

title

1ZNG (English)

retrieved

19 October 2016

UMLS CUI

C0068004

0 references

 

Sitelinks

Wikipedia(23 entries)

edit

• arwiki هبتان-1-ول
• azbwiki ۱-هپتانول
• bswiki 1-Heptanol
• cawiki Heptan-1-ol
• cswiki Heptan-1-ol
• dewiki 1-Heptanol
• enwiki 1-Heptanol
• eowiki Heptanolo
• eswiki Heptan-1-ol
• fawiki ۱-هپتانول
• fiwiki Heptanoli
• frwiki Heptan-1-ol
• idwiki 1-Heptanol
• jawiki 1-ヘプタノール
• lvwiki 1-Heptanols
• nlwiki 1-heptanol
• plwiki 1-Heptanol
• ptwiki 1-Heptanol
• rowiki 1-heptanol
• shwiki 1-Heptanol
• srwiki 1-Heptanol
• tawiki 1-எப்டேனால்
• zhwiki 1-庚醇

Wikibooks(0 entries)

edit

Wikinews(0 entries)

edit

Wikiquote(0 entries)

edit

Wikisource(0 entries)

edit

Wikiversity(0 entries)

edit

Wikivoyage(0 entries)

edit

Wiktionary(0 entries)

edit

Multilingual sites(1 entry)

edit

• commonswiki Category:1-Heptanol

Retrieved from "https://www.wikidata.org/w/index.php?title=Q113820&oldid=2186361281"