neryl isobutyrate (Q27283713)

UNII-M9941BHL2O (English)

14 October 2016

chemical formula

C₁₄H₂₄O₂

1 reference

UNII-M9941BHL2O (English)

14 October 2016

canonical SMILES

CC(C)C(=O)OCC=C(C)CCC=C(C)C

1 reference

UNII-M9941BHL2O (English)

14 October 2016

isomeric SMILES

CC(C)C(=O)OC/C=C(/C)\CCC=C(C)C

1 reference

GC/MS Analysis of the Leaf Oil ofCryptomeria japonicaD. Don from Reunion Island

UNII-M9941BHL2O (English)

14 October 2016

1 reference

Chamaemelum nobile

1 reference

The Occurrence of 3-Phenylpropyl Isobutyrate in Roman Camomile Oil

Thymus funkii

1 reference

Composition and study of the variability of the essential oil ofThymus funkii Cosson

Geigeria acaulis

2 references

Sesquiterpene lactones and other terpenes from Geigeria species

Sesquiterpene lactones and other terpenes from Geigeria species

Pulicaria dysenterica

1 reference

Caryophyllene derivatives and a hydroxyisocomene from Pulicaria dysenterica

Picradeniopsis multiflora

1 reference

Neue diterpene aus Schkuhria-arten

Aloysia citrodora

1 reference

Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin

Aloysia triphylla

1 reference

Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin

Aloysia citriodora

1 reference

Composition of Lemon Verbena (Aloysia triphylla(L'Herit.) Britton) Oil of Moroccan Origin

Thymus longiflorus

1 reference

Composition and study of the variability of the essential oil ofThymus funkii Cosson

Identifiers

InChI

InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-

1 reference

UNII-M9941BHL2O (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-M9941BHL2O (English)

14 October 2016

2 references

neryl isobutyrate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=2345-24-6

9 April 2021

1 reference

Neryl isobutyrate (English)

14 October 2016

2 references

UNII-M9941BHL2O (English)

14 October 2016

ChEBI ID

171784

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9-

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP006983

0 references

SPLASH

splash10-00kf-9000000000-0700f13d233209c71240

0 references

DSSTox substance ID

DTXSID30883828

1 reference

DSSTOX compound identifier

DTXCID801023314

0 references

EC number

219-061-1

1 reference

Global Substance Registration System

neryl isobutyrate (English)

ECHA Substance Infocard ID

14 October 2016

100.017.329

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.017.329

27 December 2018

AICS Chemical ID (BEING DELETED)

Neryl isobutyrate (English)

quotation

CAS no.: 2345-24-6 (English)

FL number

09.424

1 reference

quotation

CAS no.: 2345-24-6 (English)

23 January 2021

09.424

1 reference

28 December 2019

NERYL ISOBUTYRATE (English)

quotation

CAS no.: 2345-24-6 (English)

7471

0 references

Human Metabolome Database ID

HMDB0038260

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00060963

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

neryl isobutyrate (English)

14 October 2016

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

1 reference

30 June 2018

0 references

73

1 reference

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