(Q81995094)

English

Tetradecanoic acid, hexyl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

wax monoester

0 references

mass

312.30283052 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₄₀O₂

0 references

canonical SMILES

CCCCCCCCCCCCCC(=O)OCCCCCC

0 references

Identifiers

InChI

InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(21)22-19-17-8-6-4-2/h3-19H2,1-2H3

0 references

InChIKey

JIFCVUWJQMDNTN-UHFFFAOYSA-N

0 references

CAS Registry Number

42231-99-2

1 reference

InChIKey

JIFCVUWJQMDNTN-UHFFFAOYSA-N

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=42231-99-2

PubChem CID

170623

1 reference

matched by identifier from

InChIKey

JIFCVUWJQMDNTN-UHFFFAOYSA-N

ChEBI ID

179715

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C20H40O2/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(21)22-19-17-8-6-4-2/h3-19H2,1-2H3

SureChEMBL ID

SCHEMBL333314

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JIFCVUWJQMDNTN-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

JIFCVUWJQMDNTN-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID8040068

0 references

FL number

09.582

1 reference

quotation

CAS no.: 42231-99-2 (English)

23 January 2021

09.582

1 reference

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

retrieved

30 June 2018

(Q81995094)

Tetradecanoic acid, hexyl ester

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