(Q27268520)

3-Methylbutyl 2-methylbutanoate (English)

14 October 2016

chemical formula

C₁₀H₂₀O₂

1 reference

3-Methylbutyl 2-methylbutanoate (English)

14 October 2016

canonical SMILES

CCC(C)C(=O)OCCC(C)C

1 reference

3-Methylbutyl 2-methylbutanoate (English)

14 October 2016

found in taxon

Chrysanthemum indicum

1 reference

Chemical Variations of the Essential Oils in Flower Heads of Chrysanthemum indicum L. from China

Foeniculum vulgare

1 reference

Screening the essential oil composition of wild Sicilian fennel

Artemisia annua

1 reference

Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia

Humulus lupulus

1 reference

Rapid Differentiation of Chinese Hops Varieties (Humulus lupulus) Using Volatile Fingerprinting by HS-SPME-GC-MS Combined with Multivariate Statistical Analysis

Capsicum annuum

1 reference

Influence of different drying technologies on the volatile components of chilli (<I>Capsicum annuum</I> L.) powder

Identifiers

InChI

InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3

1 reference

3-Methylbutyl 2-methylbutanoate (English)

14 October 2016

1 reference

Global Substance Registration System

3-Methylbutyl 2-methylbutanoate (English)

14 October 2016

2 references

isoamyl 2-methylbutyrate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=27625-35-0

9 April 2021

1 reference

Isoamyl 2-methylbutyrate (English)

14 October 2016

2 references

3-Methylbutyl 2-methylbutanoate (English)

14 October 2016

ChEBI ID

179544

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3

SureChEMBL ID

SCHEMBL891188

2 references

based on heuristic

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP007091

1 reference

MassBank accession ID

0 references

SPLASH

splash10-05fu-9000000000-f126e8948b12ca2028a9

0 references

DSSTox substance ID

DTXSID90865387

1 reference

DSSTOX compound identifier

DTXCID10813800

0 references

EC number

248-581-1

1 reference

Global Substance Registration System

isoamyl 2-methylbutyrate (English)

ECHA Substance Infocard ID

14 October 2016

100.044.150

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.044.150

27 December 2018

AICS Chemical ID (BEING DELETED)

3-methylbutyl 2-methylbutyrate (English)

quotation

CAS no.: 27625-35-0 (English)

FL number

09.530

1 reference

quotation

CAS no.: 27625-35-0 (English)

23 January 2021

09.530

17019

0 references

Human Metabolome Database ID

HMDB0040157

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00061216

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

isoamyl 2-methylbutyrate (English)

14 October 2016

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

1 reference

30 June 2018

0 references

51

1 reference

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