(Q27251233)

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

14 October 2016

chemical formula

C₂₁H₃₂O₅

1 reference

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

14 October 2016

canonical SMILES

CC1CCC(C(C1)OCC2COC(O2)C3=CC(=C(C=C3)O)OC)C(C)C

1 reference

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

14 October 2016

isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OCC2COC(O2)C3=CC(=C(C=C3)O)OC)C(C)C

1 reference

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

InChI=1S/C21H32O5/c1-13(2)17-7-5-14(3)9-19(17)24-11-16-12-25-21(26-16)15-6-8-18(22)20(10-15)23-4/h6,8,10,13-14,16-17,19,21-22H,5,7,9,11-12H2,1-4H3/t14-,16?,17+,19-,21?/m1/s1

14 October 2016

Identifiers

InChI

1 reference

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

ZOGKSXQLOOQXFG-LTKHDUQWSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

14 October 2016

1 reference

UNII

11474XHB39

vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

14 October 2016

1 reference

4-[4-({[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}methyl)-1,3-dioxolan-2-yl]-2-methoxyphenol (English)

14 October 2016

1 reference

Vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)

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

14 October 2016

ChEBI ID

175685

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

1 reference

1 reference

DSSTOX compound identifier

DTXCID6097366

0 references

FL number

02.248

1 reference

02.248

24 January 2021

CAS no. 180964-47-0 (English)

UNII

11474XHB39

1 reference

stated in

Global Substance Registration System

UNII

11474XHB39

vanillin 3-(L-menthoxy)propane-1,2-diol acetal (English)