(3E,6Z)-3,6-nonadienyl acetate (Q27258044)

UNII-3UJ78630Z3 (English)

14 October 2016

chemical formula

C₁₁H₁₈O₂

1 reference

UNII-3UJ78630Z3 (English)

14 October 2016

canonical SMILES

CCC=CCC=CCCOC(=O)C

1 reference

UNII-3UJ78630Z3 (English)

14 October 2016

isomeric SMILES

CC/C=C\C/C=C/CCOC(=O)C

1 reference

UNII-3UJ78630Z3 (English)

InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4-,8-7+

14 October 2016

Identifiers

InChI

1 reference

UNII-3UJ78630Z3 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-3UJ78630Z3 (English)

14 October 2016

2 references

UNII

3UJ78630Z3

(3E,6Z)-3,6-nonadienyl acetate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=211323-05-6

10 April 2021

1 reference

(3E,6Z)-3,6-Nonadien-1-yl acetate (English)

14 October 2016

2 references

UNII-3UJ78630Z3 (English)

14 October 2016

ChEBI ID

195880

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4-,8-7+

1 reference

1 reference

FL number

09.674

1 reference

09.674

CAS no.: 211323-05-6 (English)

Human Metabolome Database ID

23 January 2021

HMDB0038068

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

3UJ78630Z3

2 references

stated in

UNII

3UJ78630Z3

(3E,6Z)-3,6-nonadienyl acetate (English)

14 October 2016

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

JECFA number

1285

1 reference

stated in