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beta-santalene
bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)-

Supplier Sponsors

Name:	6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CAS Number:	511-59-1	3D/inchi
ECHA EINECS - REACH Pre-Reg:	208-130-1
FDA UNII:	Search
XlogP3-AA:	5.30 (est)
Molecular Weight:	204.35628000
Formula:	C15 H24
NMR Predictor:	Predict (works with chrome, Edge or firefox)

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

Physical Properties:

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:	0.020000 mmHg @ 25.00 °C. (est)
Flash Point:	213.00 °F. TCC ( 100.56 °C. )
logP (o/w):	6.145 (est)
Soluble in:
	alcohol
	water, 0.02557 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Description:woody

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

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):511-59-1

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :10534

National Institute of Allergy and Infectious Diseases:Data

6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane

Chemidplus:0000511591

References:

Leffingwell:	Chirality or Article
	6-methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	511-59-1
Pubchem (cid):	10534
Pubchem (sid):	134977977
Pherobase:	View

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
KEGG (GenomeNet):	C09718
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB015240
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

For Odor

No odor group found for these

chamaecyparis obtusa wood oil
FR

beta-

alcoholic

alcoholic

fusel oil
FL/FR

amber

amber butanol
FR

cistus twig/leaf concrete
FR

labdanum oil
FL/FR

balsamic

siam

benzoin resinoid
FL/FR

betula pubescens bud oil
FL/FR

iso

bornyl propionate
FL/FR

fir balsam absolute
FR

guaiyl acetate
FL/FR

tolu balsam resinoid
FL/FR

citrus

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-yl acetate
FL/FR

(+)-

nootkatone
FL/FR

bitter

orange peel oil
FL/FR

floral

genet concrete
FR

alpha-

irone
FL/FR

alpha-iso

methyl ionone (70% min.)
FL/FR

mimosa concrete france
FL/FR

beta-

orris rhizome concrete butter (iris pallida)
FL/FR

fruity

dihydroactinidolide
FL/FR

linalool oxide acetates
FL/FR

green

1-

(Z)-5-

octen-1-yl propionate
FL/FR

terpinyl propionate
FL/FR

herbal

bornyl 2-methyl butyrate
FL/FR

herbal undecanone
FR

hyssop oil
FL/FR

spike

lavender absolute
FL/FR

rosemary absolute
FL/FR

common

tansy flower oil dutch
FR

thyme oil wild or creeping
FL/FR

gamma-

valerolactone
FL/FR

mentholic

iso

pulegyl acetate
FL/FR

musk

dehydro beta-linalool
FL/FR

phenolic

ortho-

powdery

alpha-

methyl ionone
FL/FR

spicy

artemisia dracunculus herb oil
FL/FR

iso

butyl angelate
FL/FR

clove bud absolute
FL/FR

iso

cyclogeraniol (IFF)
FR

elettaria cardamomum seed oil
FL/FR

iso

ginger root oil brazil
FL/FR

terpenic

frankincense oil
FL/FR

juniper branch oil
FR

pine needle oil dwarf
FL/FR

waxy

iso

amyl laurate
FL/FR

woody

amber formate
FR

cabreuva wood oil
FR

caryophyllene alcohol acetate
FR

cedarwood oil china
FR

alpha-

cedryl methyl ether
FR

longifolene
FL/FR

marine formate
FR

methyl cedryl ketone
FL/FR

methyl sandal
FR

patchouli hexanol
FR

polylimonene
FL/FR

sandal butenol
FR

spruce needle oil canada
FL/FR

vetiverol
FL/FR

woody dodecane
FR

woody propanol
FR

For Flavor

No flavor group found for these

betula pubescens bud oil
FL/FR

bornyl 2-methyl butyrate
FL/FR

alpha-

dehydro beta-linalool
FL/FR

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-yl acetate
FL/FR

guaiyl acetate
FL/FR

linalool oxide acetates
FL/FR

polylimonene
FL/FR

beta-

amber

amber

labdanum oil
FL/FR

balsamic

siam

benzoin resinoid
FL/FR

iso

bornyl propionate
FL/FR

tolu balsam resinoid
FL/FR

camphoreous

citrus

(+)-

nootkatone
FL/FR

bitter

orange peel oil
FL/FR

fatty

iso

amyl laurate
FL/FR

floral

alpha-iso

methyl ionone (70% min.)
FL/FR

mimosa concrete france
FL/FR

orris rhizome concrete butter (iris pallida)
FL/FR

fruity

dihydroactinidolide
FL/FR

fusel oil
FL/FR

alpha-

methyl ionone
FL/FR

green

iso

butyl angelate
FL/FR

beta-

(Z)-5-

octen-1-yl propionate
FL/FR

terpinyl propionate
FL/FR

herbal

hyssop oil
FL/FR

spike

lavender absolute
FL/FR

rosemary absolute
FL/FR

thyme oil wild or creeping
FL/FR

orris

costus root oil
FL

pine

pine needle oil dwarf
FL/FR

solvent

1-

spicy

artemisia dracunculus herb oil
FL/FR

clove bud absolute
FL/FR

elettaria cardamomum seed oil
FL/FR

iso

ginger root oil brazil
FL/FR

white

pepper oleoresin
FL

turmeric oleoresin
FL

tonka

gamma-

valerolactone
FL/FR

woody

frankincense oil
FL/FR

ortho-

alpha-

irone
FL/FR

longifolene
FL/FR

methyl cedryl ketone
FL/FR

iso

pulegyl acetate
FL/FR

spruce needle oil canada
FL/FR

vetiverol
FL/FR

Potential Uses:

FR	acacia
FR	amber
FR	ambergris
FR	ambreine
FR	amyris
FL/FR	angelica
FR	ash mountain ash
FR	bark
FR	bayberry
FL/FR	beech
FL/FR	benzoin absolute replacer
FR	bergamot
FL/FR	birch tar
FR	bois de rose
FR	boronia
FR	boxwood
FL	buchu leaf
FR	cabreuva wood
FR	cade oil replacer
FR	calamus oil replacer
FR	cardamom oil replacer
FR	cedar
FR	cedar forest
FR	cedarwood
FR	cedarwood atlas
FR	celery
FR	cigar
FL/FR	cistus
FR	citronella
FR	clary sage oil replacer
FR	costus
FL/FR	croton eluteria bark
FR	cypress oil replacer
FR	dogwood
FR	elemi
FR	fern
FR	fir needle oil replacer
FR	forest
FR	frankincense
FL/FR	galangal root
FR	galbanum
FR	ginger
FR	gingergrass
FL/FR	guaiacwood
FR	gurjun balsam
FR	hay new mown hay
FR	heather
FR	hinoki oil replacer
FL/FR	hyssop
FR	iris blossom
FR	juniper
FR	juniper berry
FR	labdanum
FR	mace
FR	maja
FR	mimosa
FR	oakwood
FR	opoponax
FL/FR	orange bitter orange peel
FR	oregano
FR	orris
FR	osmanthus
FR	patchouli
FR	pine forest
FL/FR	pine needle
FL/FR	pine scotch pine
FR	pinion
FR	redwood
FR	sandalwood
FR	spikenard oil replacer
FR	spruce
FR	sweet grass
FL/FR	tansy oil replacer
FL/FR	tarragon oil replacer
FL	tea black tea
	timber
FR	tolu balsam
FL/FR	valerian
FR	vetiver
FR	woody
FR	wormseed oil replacer

Occurrence (nature, food, other):note

	basil oil Search Trop Picture
	carrot seed oil @ 0.67% Data GC Search Trop Picture
	galangal root oil @ 0.48% Data GC Search Trop Picture
	lavandin oil abrialis @ trace% Data GC Search Trop Picture
	lemon oil california @ 0.01% Data GC Search Trop Picture
	lime oil distilled mexico @ 0.04% Data GC Search Trop Picture
	lime oil distilled peru @ 0.04% Data GC Search Trop Picture
	lime oil expressed florida @ trace% Data GC Search Trop Picture
	sandalwood oil east indian @ 1.40% Data GC Search Trop Picture
	sugandha kokila berry oil @ 0.80% Data GC Search Trop Picture
	witch hazel leaf oil @ 0.03% Data GC Search Trop Picture

Synonyms:

	bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)-
(1S-exo)-2-	methyl-3-methylene-2-(4-methyl-3-pentenyl) bicyclo(2.2.1)heptane
(1S,2R,4R)-2-	methyl-3-methylene-2-(4-methyl-3-pentenyl) bicyclo(2.2.1)heptane
(1S-exo)-2-	methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo(2.2.1)heptane
6-	methyl-5-methylidene-6-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
beta-	santala-3(15),10-diene
(-)-beta-	santalene

Articles:

PubMed:Biosynthesis of Sandalwood Oil: Santalum album CYP76F cytochromes P450 produce santalols and bergamotol.

PubMed:Molecular regulation of santalol biosynthesis in Santalum album L.

PubMed:Revisiting sesquiterpene biosynthetic pathways leading to santalene and its analogues: a comprehensive mechanistic study.

PubMed:Preparative separation of α- and β-santalenes and (Z)-α- and (Z)-β-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil.

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

PubMed:Sandalwood fragrance biosynthesis involves sesquiterpene synthases of both the terpene synthase (TPS)-a and TPS-b subfamilies, including santalene synthases.

PubMed:Antioxidant, alpha-amylase inhibitory and brine-shrimp toxicity studies on Centaurea centaurium L. methanolic root extract.

PubMed:Composition and some biological activities of the essential oils from an African pasture grass: Elionurus elegans Kunth.

PubMed:Genetic control and evolution of sesquiterpene biosynthesis in Lycopersicon esculentum and L. hirsutum.

PubMed:Anti-inflammatory activity of extracts from Conyza canadensis.

PubMed:Synthesis of campherenone, epicampherenone, beta-santalene, epi-beta-santalene, alpha-santalene, ylangocamphor, copacamphor, and sativene.

Notes:

Constit. from oil of the famine food Santalum album (sandalwood). Flavouring ingredient

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