monocyclohexyl phthalate (Q27225618)

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chemical compound

• cyclohexyl hydrogen phthalate
• MCHP
• phthalic acid, monocyclohexyl ester
• 1,2-benzenedicarboxylic acid, monocyclohexyl ester
• 2-(cyclohexyloxycarbonyl)benzoic acid

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Language	Label	Description	Also known as
English	monocyclohexyl phthalate	chemical compound	cyclohexyl hydrogen phthalate MCHP phthalic acid, monocyclohexyl ester 1,2-benzenedicarboxylic acid, monocyclohexyl ester 2-(cyclohexyloxycarbonyl)benzoic acid

Statements

instance of

type of chemical entity

0 references

subclass of

phthalate ester

0 references

chemical structure

Mono Cyclohexyl Phthalate Structure.svg
316 × 263; 9 KB

0 references

mass

248.105±0 dalton

1 reference

stated in

PubChem

PubChem CID

165618

language of work or name

English

title

Monocyclohexyl phthalate (English)

retrieved

12 October 2016

chemical formula

C₁₄H₁₆O₄

1 reference

stated in

PubChem

PubChem CID

165618

language of work or name

English

title

Monocyclohexyl phthalate (English)

retrieved

12 October 2016

canonical SMILES

C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O

1 reference

stated in

PubChem

PubChem CID

165618

language of work or name

English

title

Monocyclohexyl phthalate (English)

retrieved

12 October 2016

Identifiers

InChI

InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)

1 reference

stated in

PubChem

PubChem CID

165618

language of work or name

English

title

Monocyclohexyl phthalate (English)

retrieved

12 October 2016

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

165618

language of work or name

English

title

Monocyclohexyl phthalate (English)

retrieved

12 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

7517-36-4

2 references

stated in

ChEBI

ChEBI ID

132609

language of work or name

English

title

monocyclohexyl phthalate (English)

retrieved

12 October 2016

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

8 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=7517-36-4

ChemSpider ID

145146

1 reference

stated in

ChemSpider

ChemSpider ID

145146

language of work or name

English

title

2-[(Cyclohexyloxy)carbonyl]benzoic acid (English)

retrieved

12 October 2016

PubChem CID

165618

2 references

stated in

PubChem

PubChem CID

165618

language of work or name

English

title

Monocyclohexyl phthalate (English)

retrieved

12 October 2016

matched by identifier from

InChIKey

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

ChEBI ID

132609

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

132609

language of work or name

English

title

monocyclohexyl phthalate (English)

retrieved

12 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)

UniChem compound ID

23049995

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Antwerp_Univ-AN114925

1 reference

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Antwerp_Univ-AN114927

1 reference

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Antwerp_Univ-AN114928

1 reference

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Antwerp_Univ-AN114929

1 reference

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Antwerp_Univ-AN114930

1 reference

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-Antwerp_Univ-AN114926

1 reference

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

DSSTox substance ID

DTXSID3052729

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID3031317

0 references

EC number

809-729-6

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.237.569

retrieved

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 7517-36-4 (English)

ECHA Substance Infocard ID

100.237.569

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.237.569

retrieved

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 7517-36-4 (English)

Human Metabolome Database ID

HMDB0254852

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

PMDKYLLIOLFQPO-UHFFFAOYSA-N

 

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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