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Compound Summary

General Compound Information

3-methyl-1-butanol

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Description

Isoamylol is an primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. It has a role as a xenobiotic metabolite, a Saccharomyces cerevisiae metabolite and an antifungal agent. It is a primary alcohol, a volatile organic compound and an alkyl alcohol. It derives from a hydride of an isopentane.

Synonyms

Isoamyl alcohol; 3-Methyl-1-butanol; Isopentyl alcohol; 3-Methylbutan-1-ol; 123-51-3;

Isopentanol;3-Methylbutanol;1-Butanol, 3-methyl-;Isoamylol;Isobutylcarbinol;2-Methyl-4-butanol;Iso-amylalkohol;Iso-amyl alcohol;Isobutyl carbinol;ISOAMYLALCOHOL;Alcool isoamylique;Fermentation amyl alcohol;Alcool amilico;Amylowy alkohol;Isoamyl alkohol;i-Amyl Alcohol;Primary isoamyl alcohol;3-Metil-butanolo;isopentan-1-ol;Isoamyl alcohol (natural);MFCD00002934;FEMA No. 2057;isoamyl-alcohol;3-Methyl-Butan-1-Ol;Isoamyl alcohol, primary;3-methyl-Butanol;NSC 1029;Methyl-3-butan-1-ol;Butan-1-ol, 3-methyl;DEM9NIT1J4;Fuseloel;Huile de fusel;DTXSID3025469;CHEBI:15837;3-METHYL-BUTAN-(1)-OL;NSC-1029;NSC-7905;EINECS 229-179-5;Magnesium bis(3-methylbutan-1-olate);iso-pentanol;WLN: Q2Y1 & 1;FEMA Number 2057;Isoamyl alkohol [Czech];Alcool amilico [Italian];Amylowy alkohol [Polish];Iso-amylalkohol [German];1-Hydroxy-3-Methylbutane;Alcool isoamylique [French];3-Metil-butanolo [Italian];6423-06-9;HSDB 605;3-methylbutyl alcohol;EINECS 204-633-5;UNII-DEM9NIT1J4;iso-amylalcohol;isopentylalcohol;Isopentylalkohol;AI3-15288;CCRIS 8806;3-methylbutanoI;3-methyl butanol;3-methyl 1-butanol;3-methyl-1 butanol;3-methylbutane-1-ol;Butanol, 3-methyl-;Isoamyl alcohol (primary and secondary);EC 204-633-5;3-Methyl-1-butanol, 98%;ISOAMYL ALCOHOL [FCC];ISOAMYL ALCOHOL [FHFI];ISOAMYL ALCOHOL [HSDB];ISOAMYL ALCOHOL [INCI];ISOPENTYL ALCOHOL [MI];CHEMBL372396;DTXCID705469;QSPL 002;Isoamyl alcohol, >=98%, FG;NSC1029;NSC7905;ZINC896830;Isoamyl alcohol (3-methyl butanol);3-Methylbutanol, analytical standard;Tox21_302359;LMFA05000108;STL282718;3-Methyl-1-butanol A.C.S. Reagent;3-Methyl-1-butanol, LR, >=98%;AKOS000118739;NATURAL ISOAMYL ALCOHOL P & F;3-METHYL-1-BUTANOL [USP-RS];DB02296;3-Methyl-1-butanol, p.a., 99.8%;Isoamyl alcohol, natural, >=98%, FG;3-Methyl-1-butanol, analytical standard;NCGC00255329-01;3-Methyl-1-butanol, anhydrous, >=99%;CAS-123-51-3;3-Methyl-1-butanol, reagent grade, 98%;3-Methyl-1-butanol, technical grade, 95%;ISOAMYL ALCOHOL ULTRA PURE GRADE 1L;FT-0616032;I0289;EN300-19333;3-Methyl-1-butanol, ACS reagent, >=98.5%;3-Methyl-1-butanol, biotech. grade, >=99%;3-Methyl-1-butanol, ReagentPlus(R), >=99%;C07328;NATURAL ISOAMYL ALCOHOL - TECHNICAL GRADE;3-Methyl-1-butanol, SAJ first grade, >=96.0%;Q223101;3-Methyl-1-butanol, JIS special grade, >=98.0%;F0001-0367;Z104473558;3-Methylbutanol, BioReagent, for molecular biology, >=98.5%;3-Methylbutanol, puriss. p.a., ACS reagent, >=98.5% (GC);3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC);3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard;3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%;

FlavorDB ID

2528

PUBCHEM ID

Molecular Weight

88.15 Molecular Formula

C5H12O

Openeye Can Smiles

CC(C)CCO

IUPAC Inchikey

PHTQWCKDNZKARW-UHFFFAOYSA-N

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Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	malty	2.496e+0 µmol/L		details
smell	malty	1.112e+1 µmol/L		details
smell	malty	2.496e+0 µmol/L	white alba truffle burgundy truffle	details
smell	malty	5.786e+1 µmol/L	rum red wine	details
smell	malty	6.353e+2 µmol/L	rum red wine	details
smell	malty	5.786e+1 µmol/L	rum red wine	details
smell	malty	2.496e+0 µmol/L	jackfruit pulp	details
smell	malty	2.496e+0 µmol/L	cempedak	details

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

Food Additive Safety (OFAS)
ISOAMYL ALCOHOL 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: Isopentanol

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

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
615	Rat	oral: gavage	119	NOAEL	>	1000	mg/kg bw/day	no adverse effect observed at single/highest dose
615	Rat	oral: drinking water	90	NOAEL	=	340	mg/kg bw/day	haematology	hemopoietic

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

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
615	MSI/FC	=	25	mg/kg	Salmons
615	MSI/FC	=	30	mg/kg	Dogs as pet
615	critical study not identified		0		Consumers
615	critical study not identified		0		Workers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA FEEDAP	2012	615	No data

EFSA Outputs

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

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

3-methyl-1-butanol

Description

Synonyms

Isoamyl alcohol; 3-Methyl-1-butanol; Isopentyl alcohol; 3-Methylbutan-1-ol; 123-51-3;

FlavorDB ID

2528

PUBCHEM ID

31260

Molecular Weight

88.15

Molecular Formula

C5H12O

Openeye Can Smiles

CC(C)CCO

IUPAC Inchikey

PHTQWCKDNZKARW-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

3-methyl-1-butanol

Description

Synonyms

Isoamyl alcohol; 3-Methyl-1-butanol; Isopentyl alcohol; 3-Methylbutan-1-ol; 123-51-3;

FlavorDB ID

2528

PUBCHEM ID

31260

Molecular Weight

88.15

Molecular Formula

C5H12O

Openeye Can Smiles

CC(C)CCO

IUPAC Inchikey

PHTQWCKDNZKARW-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

OpenFoodTox: component Isopentanol

GC-MS Spectrum