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(E)-alpha-bergamotene
(1S,5S,7R)-2,7-dimethyl-7-(4-methyl pent-3-enyl) bicyclo(3.1.1)hept-2-ene

Supplier Sponsors

Name:	(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
CAS Number:	13474-59-4	3D/inchi
FDA UNII:	599TK2712C
XlogP3-AA:	4.80 (est)
Molecular Weight:	204.35628000
Formula:	C15 H24
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

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
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
FEMA Number:	4960
FDA:	No longer provide for the use of these seven synthetic flavoring substances

Physical Properties:

Appearance:	pale green clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	259.00 to 260.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.021000 mmHg @ 25.00 °C. (est)
Flash Point:	213.00 °F. TCC ( 100.56 °C. )
logP (o/w):	6.540 (est)
Soluble in:
	alcohol
	water, 0.02985 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: woody

Odor Description:at 100.00 %. woody warm tea

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

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:
natural substances and extractives
Recommendation for (E)-alpha-bergamotene usage levels up to:
	not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 30
Click here to view publication 30
		average usual ppm	average maximum ppm
baked goods:		269.00000	269.00000
beverages(nonalcoholic):		24.00000	24.00000
beverages(alcoholic):		-	-
breakfast cereal:		34.00000	34.00000
cheese:		-	-
chewing gum:		465.00000	465.00000
condiments / relishes:		2.00000	20.00000
confectionery froastings:		56.00000	56.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		16.00000	147.00000
gelatins / puddings:		83.00000	83.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		93.00000	93.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		6.00000	10.00000
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		93.00000	93.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6428986

National Institute of Allergy and Infectious Diseases:Data

(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene

Chemidplus:0013474594

References:

	(1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	6428986
Pubchem (sid):	135271374
Flavornet:	13474-59-4

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB003887
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

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	basil oil CO2 sweet @ 9.60% Data GC Search Trop Picture
	basil oil sweet @ 6.76% Data GC Search Trop Picture
	basil oil sweet egypt @ 0.48% Data GC Search Trop Picture
	basil oil var. glabratum turkey @ 3.08% Data GC Search Trop Picture
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	bergamot oil @ 0.162-0.437% Data GC Search Trop Picture
	bergamot oil @ 0.36% Data GC Search Trop Picture
	carrot seed oil @ 0.73% Data GC Search Trop Picture
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	cinnamomum fragrans baillon leaf oil madagascar @ trace% Data GC Search Trop Picture
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	cumin seed oil egypt @ 0.31% Data GC Search Trop Picture
	cymbopogon citratus (dc.) stapf. oil cuba @ 0.10% Data GC Search Trop Picture
	fleabane oil @ 7.00% Data GC Search Trop Picture
	galangal root oil @ 1.60% Data GC Search Trop Picture
	helichrysum italicum oil america @ 2.01% Data GC Search Trop Picture
	jambu flower oil brazil @ 0.20% Data GC Search Trop Picture
	lavender oil france @ trace% Data GC Search Trop Picture
	lemon oil expressed italy @ 24.50% Data GC Search Trop Picture
	lemongrass oil morocco @ 0.10% Data GC Search Trop Picture
	lime oil CO2 extract mexico @ 1.91% Data GC Search Trop Picture
	lime oil distilled mexico @ 0.70% Data GC Search Trop Picture
	lime oil distilled peru @ 0.72% Data GC Search Trop Picture
	lovage root Search Trop Picture
	marsypianthes chamaedrys (vahl) kuntze oil brazil @ 1.50% Data GC Search Trop Picture
	myristica fragrans fruit oil @ 0.10% Data GC Search Trop Picture
	nutmeg oil hydrodistilled india @ 0.1% Data GC Search Trop Picture
	orthodon dianthera maxim. oil vietnam @ 0.10% Data GC Search Trop Picture
	pepper black pepper fruit Search Trop Picture
	persea americana mill. fruit oil cuba @ 3.00% Data GC Search Trop Picture
	phoebe oil brazil @ 2.54% Data GC Search Trop Picture
	sandalwood oil east indian @ 0.12% Data GC Search Trop Picture
	stachys recta l. oil serbia @ trace% Data GC Search Trop Picture

Synonyms:

(-)-(E)-alpha-	bergamotene
(-)-a-trans-	bergamotene
(-)-trans-a-	bergamotene
trans-a-	bergamotene
trans-alpha-	bergamotene
	bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-penten-1-yl)-, (1S,5S,6R)-
(E)-(-)-2,6-	dimethyl-6-(4-methyl-3-pentenyl)-2-norpinene
trans-(-)-2,6-	dimethyl-6-(4-methyl-3-pentenyl)-2-norpinene
(1S,5S,6R)-2,6-	dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
(1S,5S,7R)-2,7-	dimethyl-7-(4-methyl pent-3-enyl) bicyclo(3.1.1)hept-2-ene

Articles:

PubMed:The Sesquiterpenes(E)-ß-Farnesene and (E)-α-Bergamotene Quench Ozone but Fail to Protect the Wild Tobacco Nicotiana attenuata from Ozone, UVB, and Drought Stresses.

PubMed:Ectopic terpene synthase expression enhances sesquiterpene emission in Nicotiana attenuata without altering defense or development of transgenic plants or neighbors.

PubMed:Sesquiterpenes from the inner bark of the silver birch and the paper birch.

PubMed:Essential oils from five species of Annonaceae from Vietnam.

PubMed:Molecular cloning and characterization of (+)-epi-α-bisabolol synthase, catalyzing the first step in the biosynthesis of the natural sweetener, hernandulcin, in Lippia dulcis.

PubMed:The maize transcription factor EREB58 mediates the jasmonate-induced production of sesquiterpene volatiles.

PubMed:Chemical composition, antioxidant, anti-inflammatory and anti-proliferative activities of essential oils of plants from Burkina Faso.

PubMed:Rhizobacterial colonization of roots modulates plant volatile emission and enhances the attraction of a parasitoid wasp to host-infested plants.

PubMed:Multidimensional enantio gas chromtography/mass spectrometry and gas chromatography-combustion-isotopic ratio mass spectrometry for the authenticity assessment of lime essential oils (C. aurantifolia Swingle and C. latifolia Tanaka).

PubMed:Chemical variability of Copaifera reticulata Ducke oleoresin.

PubMed:Dynamic evolution of herbivore-induced sesquiterpene biosynthesis in sorghum and related grass crops.

PubMed:Priming of Production in Maize of Volatile Organic Defence Compounds by the Natural Plant Activator cis-Jasmone.

PubMed:Chemical composition of essential oils from leaves, stems, flower heads and roots of Conyza bonariensis L. from Tunisia.

PubMed:Molecular and biochemical evolution of maize terpene synthase 10, an enzyme of indirect defense.

PubMed:Topical anti-inflammatory constituents of lipophilic leaf fractions of Alchornea floribunda and Alchornea cordifolia.

PubMed:[Study on the volatile oil of Murraya exotica].

PubMed:The population explodes.

PubMed:Baby boom. American anti-abortion politics blocks family planning funding around the world.

PubMed:Molecular interactions between the specialist herbivore Manduca sexta (Lepidoptera, Sphigidae) and its natural host Nicotiana attenuata. VIII. An unbiased GCxGC-ToFMS analysis of the plant's elicited volatile emissions.

PubMed:Polymorphism in jasmonate signaling partially accounts for the variety of volatiles produced by Nicotiana attenuata plants in a native population.

PubMed:In situ volatile collection, analysis, and comparison of three Centaurea species and their relationship to biocontrol with herbivorous insects.

PubMed:Additional male mediterranean fruitfly (Ceratitis capitata wied.) Attractants from Angelica seed oil (Angelica archangelica L.).

PubMed:Cloning and functional characterization of three terpene synthases from lavender (Lavandula angustifolia).

PubMed:Analysis of leaf surface sesquiterpenes in potato varieties.

PubMed:[Study of chemical constituents of essential oil from flowers of Mikania micrantha H.B.K].

PubMed:Comparison of cultivars of ornamental crop Gerbera jamesonii on production of spider mite-induced volatiles, and their attractiveness to the predator Phytoseiulus persimilis.

PubMed:Identification of volatile constituents of Tambourissa leptophylla.

PubMed:Chemical composition of the flower oil of Cinnamomum zeylanicum blume.

PubMed:Male lures for mediterranean fruitfly (Ceratitis capitata wied.): Structural analogs of α-copaene.

PubMed:The products of a single maize sesquiterpene synthase form a volatile defense signal that attracts natural enemies of maize herbivores.

PubMed:The influence of intact-plant and excised-leaf bioassay designs on volicitin- and jasmonic acid-induced sesquiterpene volatile release in Zea mays.

PubMed:The population explodes.

Notes:

None found

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