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Compound Summary

General Compound Information

myrcene

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Description

Beta-myrcene is a monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, an anabolic agent, a fragrance, a flavouring agent and a volatile oil component.

Synonyms

MYRCENE; 123-35-3; beta-Myrcene; 7-Methyl-3-methyleneocta-1,6-diene; 7-Methyl-3-methylene-1,6-octadiene;

1,6-Octadiene, 7-methyl-3-methylene-;.beta.-Myrcene;7-methyl-3-methylideneocta-1,6-diene;2-Methyl-6-methylene-2,7-octadiene;beta-geraniolene;b-Myrcene;FEMA No. 2762;3-Methylene-7-methyl-1,6-octadiene;.beta.-Geraniolene;beta -myrcene;NSC 406264;7-Methyl-3-methylene-octa-1,6-diene;NSC-406264;3M39CZS25B;Myrcene (stabilized with BHT);DTXSID6025692;CHEBI:17221;7-Methyl-3-methyleneoctadiene-(1,6);Mycrene 1000 microg/mL in Isopropanol;Myrcene (natural);29463-45-4;CCRIS 3725;HSDB 1258;EINECS 204-622-5;MFCD00008908;BRN 1719990;UNII-3M39CZS25B;b-Geraniolene;AI3-00738;beta -mircene;Myrcene, .beta.-;MYRCENE [FHFI];MYRCENE [HSDB];MYRCENE [INCI];Myrcene, technical grade;MYRCENE [FCC];MYRCENE 90;Myrcene analytical standard;EC 204-622-5;Myrcene, analytical standard;beta-Myrcene (>90%);1, 7-methyl-3-methylene-;4-01-00-01108 (Beilstein Handbook Reference);.BETA.-MYRCENE [MI];CHEMBL455491;DTXCID205692;.BETA.-MYRCENE [IARC];FEMA 2762;HY-N0803;WLN: 1Y1&U3YU1&1U1;ZINC1530331;Tox21_300351;BBL036906;NSC406264;STL477735;AKOS015904015;3-Methylene-7-methyl-1, 6-octadiene;LMPR0102010005;7-methyl-3-methylidene-octa-1,6-diene;NCGC00091420-01;NCGC00091420-02;NCGC00254252-01;CAS-123-35-3;Myrcene, >=95%, stabilized, FCC, FG;VS-13772;7-?Methyl-?3-?methylene-?1,6-?octadiene;beta-Myrcene 1000 microg/mL in Isopropanol;FT-0629050;FT-0672572;M0235;7-Methyl-3-methylene-1,6-octadiene (myrcene);C06074;E80785;EN300-187797;A805060;Myrcene, primary pharmaceutical reference standard;Q424577;Q-201417;7-Methyl-3-methylene-1,6-octadiene (beta -myrcene);N6Q;

FlavorDB ID

2565

PUBCHEM ID

Molecular Weight

136.23 Molecular Formula

C10H16

Openeye Can Smiles

CC(=CCCC(=C)C=C)C

IUPAC Inchikey

UAHWPYUMFXYFJY-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	hops-like, geranium-like	8.809e-3 µmol/L		details
smell	hops-like, geranium-like	3.597e-2 µmol/L		details
smell	terpen-like	8.809e-3 µmol/L	mango	details
smell		8.809e-3 µmol/L	curry leaf	details
smell	geranium-like, carrot-like	8.809e-3 µmol/L	orange juice	details
smell	geranium leaf-like	8.809e-3 µmol/L	dry hopped beer	details

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

Food Additive Safety (OFAS)
BETA-MYRCENE 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: Myrcene

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
2635	Rat	oral: feed	90	NOAEL	=	44	mg/kg bw/day	no adverse effect observed at single/highest dose
2722	Rat	oral: feed	90	NOAEL	=	44	mg/kg bw/day	no adverse effect observed at single/highest dose

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
2722	MSI/FC	=	4	mg/kg	Cats as pet
2722	MSI/FC	=	5	mg/kg	Animal for food production - unspecified
2722	MSI/FC	=	5	mg/kg	Animal not used for food production - unspecified
2722	MSI/FC	=	5	mg/kg	Aquatic animal for food production - unspecified
2722	MSI/FC	=	5	mg/kg	Aquatic animal not used for food production - unspecified

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2009	2305	Negative
EFSA CEF	2011	2103	Negative
EFSA CEF	2015	2635	Negative
EFSA FEEDAP	2016	2722	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2103	Scientific Opinion on Flavouring Group Evaluation 78, Revision 1 (FGE.78Rev1): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25Rev2. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2011.2178	29Jun2011
2305	Flavouring Group Evaluation 78 (FGE.78): Consideration of Aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic and aromatic hydrocarbons evaluated by EFSA in FGE.25. Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food	doi:10.2903/j.efsa.2009.931	20Jan2009
2635	Scientific Opinion on Flavouring Group Evaluation 78, Revision 2 (FGE.78Rev2): Consideration of aliphatic and alicyclic and aromatic hydrocarbons evaluated by JECFA (63rd meeting) structurally related to aliphatic hydrocarbons evaluated by EFSA in FGE.25Rev3.	doi:10.2903/j.efsa.2015.4067	13Apr2015
2722	Safety and efficacy of eight compounds belonging to chemical group 31 (aliphatic and aromatic hydrocarbons) when used as flavourings for all animal species and categories	doi:10.2903/j.efsa.2016.4339	05Jan2016

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive

Content

Compound Summary

myrcene

Description

Beta-myrcene is a monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, an anabolic agent, a fragrance, a flavouring agent and a volatile oil component.

Synonyms

MYRCENE; 123-35-3; beta-Myrcene; 7-Methyl-3-methyleneocta-1,6-diene; 7-Methyl-3-methylene-1,6-octadiene;

FlavorDB ID

2565

PUBCHEM ID

31253

Molecular Weight

136.23

Molecular Formula

C10H16

Openeye Can Smiles

CC(=CCCC(=C)C=C)C

IUPAC Inchikey

UAHWPYUMFXYFJY-UHFFFAOYSA-N

Network

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Similarity

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Content

Compound Summary

myrcene

Description

Beta-myrcene is a monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, an anabolic agent, a fragrance, a flavouring agent and a volatile oil component.

Synonyms

MYRCENE; 123-35-3; beta-Myrcene; 7-Methyl-3-methyleneocta-1,6-diene; 7-Methyl-3-methylene-1,6-octadiene;

FlavorDB ID

2565

PUBCHEM ID

31253

Molecular Weight

136.23

Molecular Formula

C10H16

Openeye Can Smiles

CC(=CCCC(=C)C=C)C

IUPAC Inchikey

UAHWPYUMFXYFJY-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component Myrcene

GC-MS Spectrum

GC-MS Spectrum