propylene glycol 1-caprylate (Q27290011)

2-hydroxypropyl octanoate (English)

14 October 2016

chemical formula

C₁₁H₂₂O₃

1 reference

2-hydroxypropyl octanoate (English)

14 October 2016

canonical SMILES

CCCCCCCC(=O)OCC(C)O

1 reference

2-hydroxypropyl octanoate (English)

InChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(13)14-9-10(2)12/h10,12H,3-9H2,1-2H3

14 October 2016

Identifiers

InChI

1 reference

2-hydroxypropyl octanoate (English)

GHHURQMJLARIDK-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

2-hydroxypropyl octanoate (English)

14 October 2016

1 reference

UNII

TL885HYH94

propylene glycol 1-caprylate (English)

14 October 2016

1 reference

2-Hydroxypropyl octanoate (English)

14 October 2016

1 reference

2-hydroxypropyl octanoate (English)

matched by identifier from

14 October 2016

ChEBI ID

230749

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C11H22O3/c1-3-4-5-6-7-8-11(13)14-9-10(2)12/h10,12H,3-9H2,1-2H3

SureChEMBL ID

SCHEMBL16458

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GHHURQMJLARIDK-UHFFFAOYSA-N

1 reference

1 reference

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

Human Metabolome Database ID

HMDB0245164

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GHHURQMJLARIDK-UHFFFAOYSA-N

UNII

TL885HYH94

1 reference

stated in

Global Substance Registration System

UNII

TL885HYH94

propylene glycol 1-caprylate (English)