beta-bourbonene

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

CAS: 5208-59-3 C15 H24 MW: 204.35628000 herbal

Identification

Name	beta-bourbonene
IUPAC	(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane
CAS Number	5208-59-3
FDA UNII	KIZ51R7NTL
Molecular Formula	C15 H24
Molecular Weight	204.35628000
Nikkaji Number	J15.463F
CoE Number	11931

Regulatory

JECFA Food Flavoring	1345 beta-bourbonene
DG SANTE Food Flavourings	01.024 beta-bourbonene
FDA Mainterm (SATF)	5208-59-3 ; BETA-BOURBONENE
FDA Regulation	FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

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, 255.00 to 256.00 °C. @ 760.00 mm Hg
Acid Value	1.00 max. KOH/g
Vapor Pressure	0.025000 mmHg @ 25.00 °C. (est)
Flash Point	220.00 °F. TCC ( 104.44 °C. )
logP (o/w)	6.128 (est)
Soluble in	alcohol
Insoluble in	water

Organoleptic Properties

Odor Description

at 100.00 %.

Safety Information

Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	flavor and fragrance agents
RIFM Fragrance Material Safety Assessment	Search
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

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Potential Uses

None Found

Natural Occurrence

basil oil sweet poland @ 0.70% Data basil shoot oil bergamot plant wild calamintha nepeta (l.) savi subsp. glandulosa oil greece @ trace% Data calamus leaf oil @ 0.05% Data carrot leaf oil @ 0.99% Data chamomile garden chamomile plant citronella oil ceylon @ 0.18% Data citronella oil china @ 0.12% Data citronella oil java @ 0.10% Data clary sage oil france @ trace% Data clary sage oil greece @ 0.15% Data clary sage oil spain @ 0.27% Data clove leaf cornmint oil croton cajucara benth. leaf oil brazil @ 2.00% Data croton flavens l. (welensali) leaf oil curacao @ 0.30% Data curry wood leaf oil australia @ 0.20% Data eucalyptus globulus bud oil @ 1.57% Data eucalyptus globulus fruit oil @ 2.40% Data ferula cupularis stem oil @ 2.70% Data geranium leaf oil india @ 0.45% Data geranium oil bourbon @ 0.43% Data geranium oil rwanda @ 0.54% Data geranium petiole oil india @ 0.08% Data geranium rose-scented oil (pelargonium spp.) cuba @ 0.80% Data geranium stem oil india @ 0.15% Data ginger horsemint shoot hyptis spicigera lam. oil mali @ 0.10-0.20% Data hyssop oil @ 1.2% Data lallemantia peltata (l.) fisch. et mey. oil turkey @ 6.90% Data lavender oil spike spain @ 0.19% Data lemon balm lemon balm shoot lemon verbena oil morocco @ 0.8% Data lemon verbena oil turkey @ 0.56% Data marjoram oil sweet cuba @ 0.10% Data marsypianthes chamaedrys (vahl) kuntze oil brazil @ 1.40% Data melissa oil slovak republic @ 0.06% Data mikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 0.80% Data nepeta betonicifolia c.a. meyer oil turkey @ 2.90% Data nepeta racemosa lam. oil iran @ 0.50% Data oregano plant oregano shoot oil orthodon dianthera maxim. oil vietnam @ trace% Data pennyroyal oil pennyroyal oil @ trace% Data pennyroyal oil cuba @ 0.10% Data peppermint oil peppermint oil CO2 extract @ 0.70% Data phlomis fruticosa l. flower oil greece @ 2.60% Data pine needle oil dwarf @ 0.13% Data pinus sylvestris l. needle oil estonia @ 0.10% Data plectranthus glandulosus hook f. leaf oil cameroon @ trace% Data polyalthia australis (benth.) jessup leaf oil australia @ 0.30% Data prangos uloptera dc. oil iran @ 0.40% Data prangos uloptera dc. seed oil iran @ 0.90% Data protium heptaphyllum (aubl.) march resin oil brazil @ 0.30% Data ravintsara leaf oil @ 0.08%% Data rosemary sage clary sage sage leaf oil sage oil albania @ trace% Data salvia sclarea oil @ 0.94% Data salvia sclarea seed oil tunisia @ 0.35% Data salvia verbenaca seed oil tunisia @ 1.73% Data satureja viminea l. oil costa rica @ trace% Data savory winter savory plant spearmint leaf spearmint oil spearmint oil america @ 0.91-1.24% Data stachys recta l. oil serbia @ 2.90% Data tansy oil canada @ 0.10% Data thyme oil red spain @ trace% Data thyme oil wild or creeping france @ 0.24% Data thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 0.60% Data xylopia aromatica (lam.) mart. leaf oil cuba @ 0.10% Data zanthoxylum bracchyacanthum l. leaf oil australia @ trace% Data

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 (1S,2R,6S,7R,8S)-1- methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane 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)].