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Compound Summary

General Compound Information

2-methylpropanal

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Description

Isobutyraldehyde is a member of the class of propanals that is propanal substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a member of propanals and a 2-methyl-branched fatty aldehyde.

Synonyms

ISOBUTYRALDEHYDE; 2-Methylpropanal; 78-84-2; Isobutanal; 2-Methylpropionaldehyde;

Isobutylaldehyde;Propanal, 2-methyl-;Isobutyric aldehyde;Valine aldehyde;Isopropylformaldehyde;Isopropylaldehyde;2-Methyl-1-propanal;Isobutaldehyde;Isobutyral;Isobutyraldehyd;Methylpropanal;Methyl propanal;Isobutyryl aldehyde;Isopropyl aldehyde;alpha-Methylpropionaldehyde;Isopropyl formaldehyde;Propionaldehyde, 2-methyl-;isobutyl aldehyde;ISO-BUTYRALDEHYDE;FEMA No. 2220;NCI-C60968;NSC 6739;.alpha.-Methylpropionaldehyde;iso-C3H7CHO;2-methyl-propionaldehyde;2-METHYL-PROPANAL;DTXSID9021635;CHEBI:48943;NSC-6739;C42E28168L;Isobutyraldehyde, 98%;Isobutyraldehyd [Czech];Isobutyraldehyde (natural);isobutyl aldehy de;Butyric iso aldehyde;CCRIS 1101;HSDB 614;EINECS 201-149-6;UN2045;isobutyraldehye;i-butyraldehyde;iso-butanal;i-butanal;2-methypropanal;AI3-15311;UNII-C42E28168L;so-Butyl aldehyde;iso-butyl aldehyde;MFCD00006980;2-methyl-propan-1-one;Isobutyraldehyde, >=99%;alpha -methylpropionaldehyde;EC 201-149-6;Isobutyraldehyde, redistilled;ISOPROPYLCARBOXALDEHYDE;ISOBUTYRALDEHYDE [MI];Isobutyraldehyde, dry, 98%;2-methylpropanal (isobutanal);ISOBUTYRALDEHYDE [FCC];WLN: VHY1&1;ISOBUTYRALDEHYDE [FHFI];ISOBUTYRALDEHYDE [HSDB];DTXCID201635;2-METHYLPROPANAL [INCI];CHEMBL1404017;Isobutyraldehyde, >=98%, FG;FEMA 2220;Isobutyraldehyde 2-Methylpropanal;ISOBUTYRALDEHYDE [USP-RS];Isobutyraldehyde, >=98%, FCC;NSC6739;ZINC1866952;Isobutyraldehyde or isobutyl aldehyde;Isobutyraldehyde, analytical standard;Tox21_200024;BBL034648;STL264210;Isobutyraldehyde, natural, 96%, FG;AKOS000119887;UN 2045;CAS-78-84-2;NCGC00091788-01;NCGC00091788-02;NCGC00257578-01;BP-20619;Isobutyraldehyde, redistilled, >=99.5%;FT-0627379;I0101;EN300-19563;A839508;Q418164;F2190-0633;Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid];

FlavorDB ID

2712

PUBCHEM ID

Molecular Weight

72.11 Molecular Formula

C4H8O

Openeye Can Smiles

CC(C)C=O

IUPAC Inchikey

AMIMRNSIRUDHCM-UHFFFAOYSA-N

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell		5.600e+1 µg/kg	caramel malt	details
smell	malty	6.795e-3 µmol/L		details
smell	malty	2.635e-2 µmol/L		details
smell		1.914e-1 µmol/L	pumkin seed oil	details
smell	malty	6.795e-3 µmol/L	white alba truffle burgundy truffle	details
smell	malty	6.795e-3 µmol/L	jackfruit pulp	details
smell	malty	6.795e-3 µmol/L	cempedak	details
smell	malty	6.795e-3 µmol/L	barley tea	details
smell	malty	6.795e-3 µmol/L	green tea	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
ISOBUTYRALDEHYDE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 2-Methylpropanal

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

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OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
615	MSI/FC	=	8	mg/kg	Chicken for egg production
615	MSI/FC	=	8	mg/kg	Chicken for meat production
615	MSI/FC	=	10	mg/kg	Pigs - less than 1 year old
615	MSI/FC	=	15	mg/kg	Turkeys for meat production
615	MSI/FC	=	16	mg/kg	Cattle for milk production
615	MSI/FC	=	17	mg/kg	Pigs for meat production
615	MSI/FC	=	17	mg/kg	Pigs for reproduction
615	MSI/FC	=	25	mg/kg	Cats as pet
615	MSI/FC	=	25	mg/kg	Cattle for meat production
615	MSI/FC	=	25	mg/kg	Cattle for meat production - less than 1 year old

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Genotoxicity

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Author	YEAR	OUTPUT ID	Genotoxicity
EFSA FEEDAP	2012	615	No data

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EFSA Outputs

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Output ID	Title	DOI	Published
615	Scientific Opinion on the safety and efficacy of branched-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing branched-chain alcohols and acetals containing branched-chain aldehydes (chemical group 2) when used as flavourings for all animal species	doi:10.2903/j.efsa.2012.2927	26Oct2012

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Receptors

Receptor information of this compound is not available!

Consensus Spectra

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Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

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Content

Compound Summary

2-methylpropanal

Description

Isobutyraldehyde is a member of the class of propanals that is propanal substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a member of propanals and a 2-methyl-branched fatty aldehyde.

Synonyms

ISOBUTYRALDEHYDE; 2-Methylpropanal; 78-84-2; Isobutanal; 2-Methylpropionaldehyde;

FlavorDB ID

2712

PUBCHEM ID

6561

Molecular Weight

72.11

Molecular Formula

C4H8O

Openeye Can Smiles

CC(C)C=O

IUPAC Inchikey

AMIMRNSIRUDHCM-UHFFFAOYSA-N

Network

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Content

Compound Summary

2-methylpropanal

Description

Isobutyraldehyde is a member of the class of propanals that is propanal substituted by a methyl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite. It is a member of propanals and a 2-methyl-branched fatty aldehyde.

Synonyms

ISOBUTYRALDEHYDE; 2-Methylpropanal; 78-84-2; Isobutanal; 2-Methylpropionaldehyde;

FlavorDB ID

2712

PUBCHEM ID

6561

Molecular Weight

72.11

Molecular Formula

C4H8O

Openeye Can Smiles

CC(C)C=O

IUPAC Inchikey

AMIMRNSIRUDHCM-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component 2-Methylpropanal

GC-MS Spectrum