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

beta-santalol
12-beta-santalen-14-ol

Supplier Sponsors

Name:(Z)-2-methyl-5-(6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
CAS Number: 77-42-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-027-2
FDA UNII:1JL7K2LW6L
Nikkaji Web:J2.946.646G
CoE Number:74
XlogP3-AA:4.00 (est)
Molecular Weight:220.35548000
Formula:C15 H24 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
EU Register name to be changed to beta-santalol and CAS Registry number to 81893-42-7. Mixture of diastereoisomers (EFFA, 2013a) Register name to be changed to (Z)-beta-Santalol and CASrn to 81893-42-7. Mixture of diastereoisomers.(EFFA, 2013b).
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
FLAVIS Number:02.216 (Old)
DG SANTE Food Flavourings:02.216 12-beta-santalen-14-ol
FEMA Number:3006 beta-santalol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):77-42-9 ; SANTALOL, BETA
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:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96500 to 0.97500 @ 25.00 °C.
Pounds per Gallon - (est).: 8.030 to 8.113
Refractive Index:1.49800 to 1.50900 @ 20.00 °C.
Boiling Point: 311.00 to 313.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000048 mmHg @ 25.00 °C. (est)
Flash Point: 241.00 °F. TCC ( 116.11 °C. )
logP (o/w): 4.446 (est)
Soluble in:
 alcohol
 water, 4.188 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. woody
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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-santalol usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.085 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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: 3
 average usual ppmaverage maximum ppm
baked goods: 1.000008.00000
beverages(nonalcoholic): 0.060002.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -0.20000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.350002.00000
fruit ices: 0.350002.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 1.0000010.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): 2.0000010.00000
Sweeteners, including honey (11.0): 2.0000010.00000
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
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):

Scientific Opinion on Flavouring Group Evaluation 207 (FGE.207): Consideration of genotoxic potential for one branched-chain aliphatic acyclic a,-unsaturated 2-alkylated aldehyde with additional double-bonds, from subgroup 1.1.2 of FGE.19 and four alicyclic aldehydes with the a,-unsaturation in a side-chain, from subgroup 2.1 of FGE.19, which are considered to be covered by the one substance of subgroup 1.1.2, by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 12, Revision 4 (FGE.12Rev4): primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters from chemical groups 1 and 7
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 12, Revision 5 (FGE.12Rev5): Primary saturated or unsaturated alicyclic alcohol, aldehyde, acid, and esters from chemical groups 1, 7 and 8)
View page or View pdf

EPI System: View
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):77-42-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5281532
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(Z)-2-methyl-5-(6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
Chemidplus:0000077429
 
References:
 (Z)-2-methyl-5-(6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:77-42-9
Pubchem (cid):5281532
Pubchem (sid):135017703
 
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 Substances Added to Food (formerly EAFUS):View
KEGG (GenomeNet):C09720
HMDB (The Human Metabolome Database):HMDB36716
FooDB:FDB015653
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
amber
cistus ladaniferus resinoid
FR
balsamic
copaiba balsam oil
FL/FR
myrrh oil
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
peru balsam oil
FL/FR
tolu balsam
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
floral
boronia absolute
FL/FR
cassie absolute
FL/FR
citronellyl formate
FL/FR
coriander seed oil
FL/FR
geraniol
FL/FR
geranium oil bourbon
FL/FR
heliotropin
FL/FR
heliotropyl acetone
FL/FR
hydroxycitronellal
FL/FR
lilac pentanol
FL/FR
linalool
FL/FR
nerolidol
FL/FR
orris rhizome absolute (iris pallida)
FL/FR
phenethyl alcohol
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
rose carboxylate
FR
tuberose absolute (from pommade)
FL/FR
herbal
clary sage oil france
FL/FR
lavender absolute bulgaria
FL/FR
leathery
castoreum absolute
FL/FR
melon
watermelon ketone
FR
mossy
oakmoss absolute
FL/FR
musk
musk indanone
FR
phenolic
methyl benzoate
FL/FR
spicy
cinnamyl acetate
FL/FR
clove bud oil
FL/FR
eugenol
FL/FR
ginger root oil china
FL/FR
mace oil
FL/FR
nutmeg oil
FL/FR
terpenic
frankincense oil
FL/FR
juniperus communis fruit oil
FL/FR
tonka
coumarin
FR
woody
agarwood oil
FR
cedarwood oil virginia
FR
2-
decalinyl formate
FR
patchouli oil
FL/FR
vetiver oil haiti
FL/FR
For Flavor
No flavor group found for these
elecampane root absolute
FL
balsamic
balsamic
copaiba balsam oil
FL/FR
myrrh oil
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
peru balsam oil
FL/FR
tolu balsam
FL/FR
berry
heliotropyl acetone
FL/FR
cherry
heliotropin
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
linalool
FL/FR
floral
geraniol
FL/FR
geranium oil bourbon
FL/FR
phenethyl alcohol
FL/FR
rose absolute (rosa damascena) bulgaria
FL/FR
tuberose absolute (from pommade)
FL/FR
fruity
boronia absolute
FL/FR
citronellyl formate
FL/FR
lilac pentanol
FL/FR
green
nerolidol
FL/FR
oakmoss absolute
FL/FR
herbal
clary sage oil france
FL/FR
coriander seed oil
FL/FR
lavender absolute bulgaria
FL/FR
leathery
castoreum absolute
FL/FR
orris
costus root oil
FL
phenolic
methyl benzoate
FL/FR
spicy
cassie absolute
FL/FR
cinnamyl acetate
FL/FR
clove bud oil
FL/FR
eugenol
FL/FR
ginger root oil china
FL/FR
mace oil
FL/FR
nutmeg oil
FL/FR
sweet
orris rhizome absolute (iris pallida)
FL/FR
terpenic
juniperus communis fruit oil
FL/FR
waxy
hydroxycitronellal
FL/FR
woody
frankincense oil
FL/FR
patchouli oil
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
FRacacia
FRamber
FRambergris
FRambreine
FRamyris
FL/FRangelica
FRash mountain ash
FRbark
FRbayberry
FL/FRbeech
FL/FRbenzoin absolute replacer
FRbergamot
FL/FRbirch tar
FRbois de rose
FRboronia
FRboxwood
FLbuchu leaf
FRcabreuva wood
FRcade oil replacer
FRcalamus oil replacer
FRcardamom oil replacer
FRcedar
FRcedar forest
FRcedarwood
FRcedarwood atlas
FRcelery
FRcigar
FL/FRcistus
FRcitronella
FRclary sage oil replacer
FRcostus
FL/FRcroton eluteria bark
FRcypress oil replacer
FRdogwood
FRelemi
FRfern
FRfir needle oil replacer
FRforest
FRfrankincense
FL/FRgalangal root
FRgalbanum
FRginger
FRgingergrass
FL/FRguaiacwood
FRgurjun balsam
FRhay new mown hay
FRheather
FRhinoki oil replacer
FL/FRhyssop
FRiris blossom
FRjuniper
FRjuniper berry
FRlabdanum
FRmace
FRmaja
FRmimosa
FRoakwood
FRopoponax
FL/FRorange bitter orange peel
FRoregano
FRorris
FRosmanthus
FRpatchouli
FRpine forest
FL/FRpine needle
FL/FRpine scotch pine
FRpinion
FRredwood
FRsandalwood
FRspikenard oil replacer
FRspruce
FRsweet grass
FL/FRtansy oil replacer
FL/FRtarragon oil replacer
FLtea black tea
 timber
FRtolu balsam
FL/FRvalerian
FRvetiver
FRwoody
FRwormseed oil replacer
 
Occurrence (nature, food, other):note
 ginger rhizome oil
Search Trop Picture
 osmanthus absolute @ 0.02%
Data GC Search Trop Picture
 sandalwood oil
Search Trop Picture
 
Synonyms:
(1S-(1alpha,2alpha(Z),4alpha))-2-methyl-5-(2-methyl-3-methylene bicyclo(2.2.1)hept-2-yl)-2-penten-1-ol
2-methyl-5-(2-methyl-3-methylene-2-norbornyl)-2-penten-1-ol
(1S-(1a,2a(Z),4a))-2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol
2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-2-penten-1-ol, (1S-(1a,2a(Z(,4a))-
(2Z)-2-methyl-5-(2-methyl-3-methylenebicyclo[2.2.1]hept-2-yl)-2-penten-1-ol
(Z)-2-methyl-5-(6-methyl-5-methylidene-6-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
2-penten-1-ol, 2-methyl-5-(2-methyl-3-methylenebicyclo(2.2.1)hept-2-yl)-, (1S-(1a,2a(Z),4a))-
12-beta-santalen-14-ol
beta-santalenol
(Z)-b-santalol
 

Articles:

PubMed:Structure-odor relationships of semisynthetic β-santalol analogs.
PubMed:endo/exo stereoselectivity in Diels-Alder reactions of α,β-dialkylated conjugated enals to cyclic 1,3-dienes: intermediates in the synthesis of (-)-β-santalol and its analogs.
PubMed:Suppression of lipopolysaccharide-stimulated cytokine/chemokine production in skin cells by sandalwood oils and purified α-santalol and β-santalol.
PubMed:A rare type of sesquiterpene and β-santalol derivatives from Santalum album and their cytotoxic activities.
PubMed:The transcriptome of sesquiterpenoid biosynthesis in heartwood xylem of Western Australian sandalwood (Santalum spicatum).
PubMed:In vitro anti-viral effect of β-santalol against influenza viral replication.
PubMed:The synthesis of (Z)-trisubstituted allylic alcohols by the selective 1,4-hydrogenation of dienol esters: improved synthesis of (-)-β-santalol.
PubMed:Acaricidal and oviposition deterring effects of santalol identified in sandalwood oil against two-spotted spider mite, Tetranychus urticae Koch (Acari: Tetranychidae).
PubMed:Chemopreventive effects of alpha-santalol on ultraviolet B radiation-induced skin tumor development in SKH-1 hairless mice.
PubMed:Anticancer Effects of Sandalwood (Santalum album).
PubMed:Structure-activity relationships of sandalwood odorants: total synthesis and fragrance properties of cyclopropano-beta-santalol.
PubMed:Syntheses and odor of "bulky group"-modified sandalwood odorants: isophorono-beta-santalol analogues.
PubMed:Structure-activity relationships of sandalwood odorants: synthesis and odor of tricyclo beta-santalol.
PubMed:Structure-activity relationships of sandalwood odorants: synthesis and odour of methyl-beta-santalol.
PubMed:Synthesis and olfactoric activity of side-chain modified beta-santalol analogues.
PubMed:Repellent effect of santalol from sandalwood oil against Tetranychus urticae (Acari: Tetranychidae).
PubMed:Geographic and phenotypic variation in heartwood and essential-oil characters in natural populations of Santalum austrocaledonicum in Vanuatu.
PubMed:α- and β-Santalols Directly Interact with Tubulin and Cause Mitotic Arrest and Cytotoxicity in Oral Cancer Cells.
PubMed:Enantioselective synthesis of (-)-beta-santalol by a copper-catalyzed enynol cyclization-fragmentation reaction.
PubMed:Hawaiian sandalwood: oil composition of Santalum paniculatum and comparison with other sandal species.
PubMed:Effect of α-santalol and β-santalol from sandalwood on the central nervous system in mice.
PubMed:Biosynthesis of Sandalwood Oil: Santalum album CYP76F cytochromes P450 produce santalols and bergamotol.
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:Chemical composition of volatile oils from the pericarps of Indian sandalwood (Santalum album) by different extraction methods.
PubMed:Chemical composition of the essential oils of Clausena lansium from Hainan Island, China.
PubMed:Structure-activity relationships of sandalwood odorants: synthesis of a new campholene derivative.
PubMed:Synthesis of new exo- and endo-3,8-dihydro-beta-santalols and other norbornyl-derived alcohols.
PubMed:Anti-Helicobacter pylori compounds from Santalum album.
PubMed:Comprehensive two-dimensional gas chromatography with flame ionization and time-of-flight mass spectrometry detection: qualitative and quantitative analysis of West Australian sandalwood oil.
PubMed:Comparative molecular and phytochemical study of the tree species Santalum austrocaledonicum (Santalaceae) distributed in the New-Caledonian archipelago.
PubMed:Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima.
PubMed:Evaluation of the quality of sandalwood essential oils by gas chromatography-mass spectrometry.
PubMed:Analysis of fragrance compounds in blood samples of mice by gas chromatography, mass spectrometry, GC/FTIR and GC/AES after inhalation of sandalwood oil.
 
Notes:
Flavouring ingredient. Constit. of sandalwood oil (Santalum album)
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