EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

beta-bourbonene
1,2,3,3a, 3bbeta, 4,5,6,6abeta, 6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene cyclobuta(1,2:3,4)dicyclopentene

Sponsors

CAS Number: 5208-59-3Picture of molecule3D/inchi
Other:13833-27-7
FDA UNII:KIZ51R7NTL
CoE Number:11931
XlogP3-AA:4.70 (est)
Molecular Weight:204.35628000
Formula:C15 H24
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
EFSA conclusion: additional data required (EFSA, 2009j). MSDI based on USA production figure. Stereoisomeric composition specified by CASrn and name in Register. According to JECFA: Min. assay value is "96 %" and "may include traces of other C15H24 compounds (cadinene, guaiene, farnesene)". Composition of mixture to be specified. Stereoisomeric composition specified by CASrn and name in Register. According to JECFA: Min. assay value is ”96 %” and ”may include traces of other C15H24 compounds (cadinene, guaiene, farnesene)”. 4% consist of C15H24 compounds.
Category:flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1345 beta-bourbonene
FLAVIS Number:01.024 (Old)
DG SANTE Food Flavourings:01.024 beta-bourbonene
FDA Mainterm: BETA-BOURBONENE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89900 to 0.90800 @ 25.00 °C.
Pounds per Gallon - (est).: 7.481 to 7.555
Refractive Index:1.50000 to 1.50700 @ 20.00 °C.
Boiling Point: 121.00 °C. @ 11.00 mm Hg
Boiling Point: 255.00 to 256.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.025000 mm/Hg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 6.128 (est)
Soluble in:
 alcohol
 water, 0.1383 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
herbal woody
Odor Description:at 100.00 %. herbal woody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for beta-bourbonene usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 25, (FGE.25)[1] - Aliphatic and aromatic hydrocarbons from chemical group 31 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 78 (FGE.78)[1] - 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 (AFC)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 25Rev1: Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf

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
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 25, Revision 2 (FGE.25Rev2): Aliphatic and aromatic hydrocarbons from chemical group 31
View page or View pdf

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

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
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :324224
National Institute of Allergy and Infectious Diseases:Data
Chemidplus:0005208593
 
References:
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):324224
Pubchem (sid):135020870
Flavornet:5208-59-3
Pherobase:View
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEBI:View
HMDB (The Human Metabolome Database):HMDB38155
FooDB:FDB017384
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
cymbopogon citratus dc. stapf. oil cuba
FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
amber
acetoxymethyl isolongifolene
FR
formoxymethyl isolongifolene
FR
hydroxymethyl isolongifolene 50% in dpg
FR
anisic
para-
anisyl propanal
FR
balsamic
dextro,laevo-iso
borneol
FL/FR
iso
bornyl acetate
FL/FR
sclareol
FL/FR
camphoreous
dextro-
camphor
FL/FR
citrus
acetaldehyde citronellyl methyl acetal
FR
beta-
bisabolol
FL/FR
cedrat peel oil
FL/FR
citral
FL/FR
citral / methyl anthranilate schiff's base
FR
citral diethyl acetal
FL/FR
citral propylene glycol acetal
FL/FR
citronella oil ceylon
FL/FR
citronellyl nitrile
FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
geranyl nitrile
CS
homo
geranyl nitrile
FR
2-
heptanol
FL/FR
lemon hexadiene
FL/FR
lemon oil c.p. california
FL/FR
lemon oil c.p. furocoumarin reduced
FL/FR
lemon oil italy
FL/FR
lemon oil terpeneless
FL/FR
lemongrass oil
FL/FR
lemongrass oil guatemala
FL/FR
lemongrass oil morocco
FL/FR
litsea cubeba fruit oil
FL/FR
litsea cubeba oil terpeneless
FL/FR
neroli ketone
FR
ocimenol
FL/FR
tetrahydrocitral
FL/FR
trimethyl cyclohexene
FR
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
earthy
2-
octanone
FL/FR
octyl phenyl acetate
FL/FR
floral
iso
amyl salicylate
FL/FR
anise indene
FR
citronellyl benzoate
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
lemon oil distilled
FL/FR
lilac absolute
FR
nonisyl propionate
FR
petitgrain bigarade oil
FL/FR
petitgrain oil paraguay
FL/FR
phenyl amyl alcohol
FL/FR
prenyl salicylate
FL/FR
rhodinyl propionate
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
heptanal cyclic ethylene acetal
FR
green
iso
cyclocitral (IFF)
FL/FR
magnolia flower oil
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
bergamot mint herb oil
FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
alpha-
cadinol
FL/FR
canarium luzonicum oil
FL/FR
clary acetate
FR
clary propyl acetate
FR
clary sage resin america
FR
coriander oleoresin
FL/FR
costmary oil (chrysanthemum balsamita)
FR
dimethyl cyclormol (IFF)
FR
herbal acetal
FR
herbal carene
FR
herbal undecanone
FR
immortelle flower oil
FL/FR
ocimene oxirane
FR
curled
parsley leaf oil
FL/FR
tea leaf absolute
FL/FR
thyme oil wild or creeping
FL/FR
tricyclodecenyl isobutyrate
FR
tricyclodecenyl propionate
FR
tricyclodecyl acetate
FR
licorice
sweet
basil oleoresin
FL/FR
minty
pennyroyal oil
FL/FR
orris
para-iso
propyl acetophenone
FL/FR
spicy
cinnamon acrolein
FL/FR
black
currant bud absolute
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
terpenic
cassis bud oil
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
woody ketone
FL/FR
woody
camphene
FL/FR
(+)-
camphene
FL/FR
cistus twig/leaf oil
FL/FR
marine formate
FR
polylimonene
FL/FR
spruce needle oil canada
FL/FR
For Flavor
No flavor group found for these
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
alpha-
cadinol
FL/FR
(+)-
camphene
FL/FR
cedrat peel oil
FL/FR
cistus twig/leaf oil
FL/FR
citral propylene glycol acetal
FL/FR
citronellyl benzoate
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-yl acetate
FL/FR
magnolia flower oil
FL/FR
1-
methyl pyrrole
FL
ocimenol
FL/FR
octyl phenyl acetate
FL/FR
phenyl amyl alcohol
FL/FR
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
tetrahydrocitral
FL/FR
woody ketone
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
camphoreous
dextro,laevo-iso
borneol
FL/FR
camphene
FL/FR
citrus
beta-
bisabolol
FL/FR
citral
FL/FR
citral diethyl acetal
FL/FR
citronella oil ceylon
FL/FR
lemon hexadiene
FL/FR
lemon oil c.p. california
FL/FR
lemon oil c.p. furocoumarin reduced
FL/FR
lemon oil distilled
FL/FR
lemon oil italy
FL/FR
lemon oil terpeneless
FL/FR
lemongrass oil
FL/FR
lemongrass oil guatemala
FL/FR
lemongrass oil morocco
FL/FR
litsea cubeba fruit oil
FL/FR
petitgrain bigarade oil
FL/FR
petitgrain oil paraguay
FL/FR
verbena oil france
FL
verbena oil spain
FL/FR
verbena oil terpeneless
FL/FR
dairy
2-
octanone
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
cassis bud oil
FL/FR
2-
heptanol
FL/FR
rhodinyl propionate
FL/FR
green
iso
amyl salicylate
FL/FR
canarium luzonicum oil
FL/FR
coriander oleoresin
FL/FR
iso
cyclocitral (IFF)
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
immortelle flower oil
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
curled
parsley leaf oil
FL/FR
prenyl salicylate
FL/FR
thyme oil wild or creeping
FL/FR
lemon
litsea cubeba oil terpeneless
FL/FR
licorice
sweet
basil oleoresin
FL/FR
medicinal
dextro-
camphor
FL/FR
minty
pennyroyal oil
FL/FR
spicy
cinnamon acrolein
FL/FR
black
currant bud absolute
FL/FR
para-iso
propyl acetophenone
FL/FR
tea
tea leaf absolute
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
woody
iso
bornyl acetate
FL/FR
(Z)-
jasmone
FL/FR
sclareol
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 basil oil sweet poland @ 0.70%
Data GC Search Trop Picture
 basil shoot oil
Search Trop Picture
 bergamot plant wild
Search Trop Picture
 calamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace%
Data GC Search Trop Picture
 calamus leaf oil @ 0.05%
Data GC Search Trop Picture
 carrot leaf oil @ 0.99%
Data GC Search Trop Picture
 chamomile garden chamomile plant
Search Trop Picture
 citronella oil ceylon @ 0.18%
Data GC Search Trop Picture
 citronella oil china @ 0.12%
Data GC Search Trop Picture
 citronella oil java @ 0.10%
Data GC Search Trop Picture
 clary sage oil france @ trace%
Data GC Search Trop Picture
 clary sage oil greece @ 0.15%
Data GC Search Trop Picture
 clary sage oil spain @ 0.27%
Data GC Search Trop Picture
 clove leaf
Search Trop Picture
 cornmint oil
Search Trop Picture
 croton cajucara benth. leaf oil brazil @ 2.00%
Data GC Search Trop Picture
 croton flavens l. (welensali) leaf oil curacao @ 0.30%
Data GC Search Trop Picture
 curry wood leaf oil australia @ 0.20%
Data GC Search Trop Picture
 eucalyptus globulus bud oil @ 1.57%
Data GC Search Trop Picture
 eucalyptus globulus fruit oil @ 2.40%
Data GC Search Trop Picture
 ferula cupularis stem oil @ 2.70%
Data GC Search Trop Picture
 geranium leaf oil india @ 0.45%
Data GC Search Trop Picture
 geranium oil bourbon @ 0.43%
Data GC Search Trop Picture
 geranium oil rwanda @ 0.54%
Data GC Search Trop Picture
 geranium petiole oil india @ 0.08%
Data GC Search Trop Picture
 geranium rose-scented oil (pelargonium spp.) cuba @ 0.80%
Data GC Search Trop Picture
 geranium stem oil india @ 0.15%
Data GC Search Trop Picture
 ginger
Search Trop Picture
 horsemint shoot
Search Trop Picture
 hyptis spicigera lam. oil mali @ 0.10-0.20%
Data GC Search Trop Picture
 hyssop oil @ 1.2%
Data GC Search Trop Picture
 lallemantia peltata (l.) fisch. et mey. oil turkey @ 6.90%
Data GC Search Trop Picture
 lavender oil spike spain @ 0.19%
Data GC Search Trop Picture
 lemon balm
Search Trop Picture
 lemon balm shoot
Search Trop Picture
 lemon verbena oil morocco @ 0.8%
Data GC Search Trop Picture
 lemon verbena oil turkey @ 0.56%
Data GC Search Trop Picture
 marjoram oil sweet cuba @ 0.10%
Data GC Search Trop Picture
 marsypianthes chamaedrys (vahl) kuntze oil brazil @ 1.40%
Data GC Search Trop Picture
 melissa oil slovak republic @ 0.06%
Data GC Search Trop Picture
 mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.80%
Data GC Search Trop Picture
 nepeta betonicifolia c.a. meyer oil turkey @ 2.90%
Data GC Search Trop Picture
 nepeta racemosa lam. oil iran @ 0.50%
Data GC Search Trop Picture
 oregano plant
Search Trop Picture
 oregano shoot oil
Search Trop Picture
 orthodon dianthera maxim. oil vietnam @ trace%
Data GC Search Trop Picture
 pennyroyal oil
Search Trop Picture
 pennyroyal oil @ trace%
Data GC Search Trop Picture
 pennyroyal oil cuba @ 0.10%
Data GC Search Trop Picture
 peppermint oil
Search Trop Picture
 peppermint oil CO2 extract @ 0.70%
Data GC Search Trop Picture
 phlomis fruticosa l. flower oil greece @ 2.60%
Data GC Search Trop Picture
 pine needle oil dwarf @ 0.13%
Data GC Search Trop Picture
 pinus sylvestris l. needle oil estonia @ 0.10%
Data GC Search Trop Picture
 plectranthus glandulosus hook f. leaf oil cameroon @ trace%
Data GC Search Trop Picture
 polyalthia australis (benth.) jessup leaf oil australia @ 0.30%
Data GC Search Trop Picture
 prangos uloptera dc. oil iran @ 0.40%
Data GC Search Trop Picture
 prangos uloptera dc. seed oil iran @ 0.90%
Data GC Search Trop Picture
 protium heptaphyllum (aubl.) march resin oil brazil @ 0.30%
Data GC Search Trop Picture
 ravintsara leaf oil @ 0.08%%
Data GC Search Picture
 rosemary
Search Trop Picture
 sage clary sage
Search Trop Picture
 sage leaf oil
Search Trop Picture
 sage oil albania @ trace%
Data GC Search Trop Picture
 salvia sclarea oil @ 0.94%
Data GC Search Trop Picture
 salvia sclarea seed oil tunisia @ 0.35%
Data GC Search Trop Picture
 salvia verbenaca seed oil tunisia @ 1.73%
Data GC Search Trop Picture
 satureja viminea l. oil costa rica @ trace%
Data GC Search Trop Picture
 savory winter savory plant
Search Trop Picture
 spearmint leaf
Search Trop Picture
 spearmint oil
Search Trop Picture
 spearmint oil america @ 0.91-1.24%
Data GC Search Trop Picture
 stachys recta l. oil serbia @ 2.90%
Data GC Search Trop Picture
 tansy oil canada @ 0.10%
Data GC Search Trop Picture
 thyme oil red spain @ trace%
Data GC Search Trop Picture
 thyme oil wild or creeping france @ 0.24%
Data GC Search Trop Picture
 thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.60%
Data GC Search Trop Picture
 xylopia aromatica (lam.) mart. leaf oil cuba @ 0.10%
Data GC Search Trop Picture
 zanthoxylum bracchyacanthum l. leaf oil australia @ trace%
Data GC Search Trop Picture
 
Synonyms:
.beta.-bourbonene
(-)-beta-bourbonene
4(15)-bourbonene
b-bourbonene
 cyclobuta[1,2:3,4]dicyclopentene, 1,2,3,3a,3bβ,4,5,6,6aβ,6ba-decahydro-1a-isopropyl-3aa-methyl-6-methylene-
 cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, [1S-(1a,3aa,3bβ,6aβ,6ba)]-
1,2,3,3a, 3bbeta, 4,5,6,6abeta, 6balpha-decahydro-1alpha-isopropyl-3aalpha-methyl-6-methylene cyclobuta(1,2:3,4)dicyclopentene
(1S- (1alpha, 3aalpha, 3bbeta, 6abeta, 6balpha))-decahydro-3a-methyl-6-cyclobuta(1,2:3,4)dicyclopentene
 decahydroisopropyl methyl methylene cyclobuta(1,2:3,4)dicyclopentene
 

Articles:

PubMed:Assessment of the chemical composition and in vitro antimicrobial potential of extracts of the liverwort Scapania aspera.
PubMed:A chemometrics as a powerful tool in the elucidation of the role of metals in the biosynthesis of volatile organic compounds in Hungarian thyme samples.
PubMed:Pachydictyols B and C: new diterpenes from Dictyota dichotoma Hudson.
PubMed:Variability of essential oils of Betonica officinalis (Lamiaceae) from different wild populations in Kosovo.
PubMed:Isoiridomyrmecin rich essential oil from Nepeta erecta Benth. and its antioxidant activity.
PubMed:The effect of temperature on the essential oil components of Salvia potentillifolia obtained by various methods.
PubMed:Composition of essential oils from leaves and flowers of Stachys germanica subsp. salviifolia (Ten.) gams (Labiatae) and related secretory structures.
PubMed:Identification of volatile components in Phyllanthus emblica L. and their antimicrobial activity.
PubMed:In situ seasonal study of the volatile production of almonds (Prunus dulcis) var. 'Nonpareil' and relationship to navel orangeworm.
PubMed:Chemical composition, antimicrobial and antioxidant activities of Centaurea ensiformis Hub.-Mor. (Asteraceae), a species endemic to Mugla (Turkey).
PubMed:Chemical composition and in vitro antimicrobial activity of the essential oils of two Helichrysum species from Tanzania.
PubMed:Antiectoparasitic activity of the gum resin, gum haggar, from the East African plant, Commiphora holtziana.
PubMed:Essential oil composition of Pimpinella anisum L. fruits from various European countries.
PubMed:[Gas chromatography for analysis of essential oils. Characteristics of essential oil of Dracocephalum species and the influence of extraction method on its composition].
PubMed:Analysis by gas chromatography-mass spectrometry of essential oil from seeds and aerial parts of Ferulago angulata (Schlecht.) Boiss gathered in Nevakoh and Shahoo, Zagross mountain, West of Iran.
PubMed:Comparison of different extraction methods for the analysis of volatile secondary metabolites of Lippia alba (Mill.) N.E. Brown, grown in Colombia, and evaluation of its in vitro antioxidant activity.
PubMed:Essential oil analysis of Eusteralis deccanensis Panigrahi (Lamiaceae).
PubMed:Chemical variability of the volatile metabolites from the Caribbean corals of the genus Gorgonia.
PubMed:[Sesquiterpene hydrocarbons from grapes (author's transl)].
 
Notes:
Flavouring agent
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy