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

beta-cedrene
(1S,2R,5S)-8-methylene-2,6,6-trimethyl tricyclo(5.3.1.01.5)undecane

Supplier Sponsors

Name:(3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
CAS Number: 546-28-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-898-8
Beilstein Number:2244722
MDL:MFCD00270433
XlogP3-AA:4.90 (est)
Molecular Weight:204.35628000
Formula:C15 H24
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn 35964-52-4 to be introduced in the Register. Register name to be changed to (+)-alpha-Cedrene. CASrn 22567-43-7 or 35964-52-4 to be clarified.
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:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.93000 to 0.93600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.739 to 7.788
Refractive Index:1.49800 to 1.50400 @ 20.00 °C.
Boiling Point: 263.00 to 264.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.017000 mmHg @ 25.00 °C. (est)
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 6.226 (est)
Shelf Life: 6.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 0.1289 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
(+)-beta-Cedrene
Glentham Life Sciences
(+)-β-Cedrene ≥95%
Santa Cruz Biotechnology
For experimental / research use only.
(+)-β-Cedrene ≥95%
Sigma-Aldrich: Aldrich
For experimental / research use only.
(+)-β-Cedrene purum, ≥95.0% (sum of enantiomers, GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
 
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-cedrene usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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): --
Sweeteners, including honey (11.0): --
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):

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

EPI System: View
EPA Substance Registry Services (TSCA):546-28-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :102432
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
Chemidplus:0000546281
 
References:
 (3R-(3alpha, 3abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:546-28-1
Pubchem (cid):102432
Pubchem (sid):135059185
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
HMDB (The Human Metabolome Database):Search
FooDB:FDB006258
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 angelica seed oil CO2 extract @ trace%
Data GC Search Trop Picture
 basil plant
Search Trop Picture
 cedarwood oil atlanta @ 5.00%
Data GC Search Trop Picture
 cedarwood oil china @ 9.20%
Data GC Search Trop Picture
 cedarwood oil texas @ 5.50%
Data GC Search Trop Picture
 cedarwood oil virginia @ 8.20%
Data GC Search Trop Picture
 guava leaf oil cuba @ trace%
Data GC Search Trop Picture
 marsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.20%
Data GC Search Trop Picture
 prangos uloptera dc. oil iran @ 1.00%
Data GC Search Trop Picture
 prangos uloptera dc. seed oil iran @ 4.00%
Data GC Search Trop Picture
 sideritis montana l. oil bulgaria @ 0.50%
Data GC Search Trop Picture
 sideritis scardica l. oil bulgaria @ 1.50%
Data GC Search Trop Picture
 ylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.20%
Data GC Search Trop Picture
 ylang ylang oil II (cananga odorata hook. f. and thomas.) @ 0.37%
Data GC Search Trop Picture
 ylang ylang oil III @ 0.46%
Data GC Search Trop Picture
 
Synonyms:
 cedr-8(15)-ene
(+)-beta-cedrene
1H-3a,7-methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R-(3a,3ab,7b,8aa))-
1H-3a,7-methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-
1H-3a,7-methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3a,3ab,7b,8aa)]-
(1S,2R,5S)-8-methylene-2,6,6-trimethyl tricyclo(5.3.1.01.5)undecane
(3R-(3a,3Ab,7b,8aa))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
(3R-(3alpha, 3abeta,7beta, 8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene
 

Articles:

PubMed:Chemical Constituents from Sinningia canescens and S. warmingii.
PubMed:Composition and antioxidant activity of Senecio nudicaulis Wall. ex DC. (Asteraceae): a medicinal plant growing wild in Himachal Pradesh, India.
PubMed:Inhibitory effects of cedrol, β-cedrene, and thujopsene on cytochrome P450 enzyme activities in human liver microsomes.
PubMed:Effect of gibberellic acid (GA), indole acetic acid (IAA) and benzylaminopurine (BAP) on the synthesis of essential oils and the isomerization of methyl chavicol and trans-anethole in Ocimum gratissimum L.
PubMed:Reprogramming the chemodiversity of terpenoid cyclization by remolding the active site contour of epi-isozizaene synthase.
PubMed:Identification of volatile compounds emitted by Artemisia ordosica (Artemisia, Asteraceae) and changes due to mechanical damage and weevil infestation.
PubMed:Comparative study of the volatiles' composition of healthy and larvae-infested Artemisia ordosica.
PubMed:Composition, anticancer, and antimicrobial activities in vitro of the heartwood essential oil of Cunninghamia lanceolata var. konishii from Taiwan.
PubMed:Chemical composition, antimicrobial and antitumor activities of the essential oils and crude extracts of Euphorbia macrorrhiza.
PubMed:Essential oil composition and antibacterial activity of Monticalia greenmaniana (Asteraceae).
PubMed:Degradation of terpenes and terpenoids from Mediterranean rangelands by mixed rumen bacteria in vitro.
PubMed:Essential oils of Cupressus funebris, Juniperus communis, and J. chinensis (Cupressaceae) as repellents against ticks (Acari: Ixodidae) and mosquitoes (Diptera: Culicidae) and as toxicants against mosquitoes.
PubMed:Biosynthesis of sesquiterpenes by the fungus Fusarium verticillioides.
PubMed:Comparative analysis of essential oils of six Anthemis taxa from Serbia and Montenegro.
PubMed:Chemical compositions and antioxidant/antimicrobial activities of various samples prepared from Schinus terebinthifolius leaves cultivated in Egypt.
PubMed:[Analysis of essential oil from different organs of Caryopteris tangutica].
PubMed:Antimicrobial activity of extractable conifer heartwood compounds toward Phytophthora ramorum.
PubMed:Changes in terpene content in milk from pasture-fed cows.
PubMed:Antimicrobial activity of some Pacific Northwest woods against anaerobic bacteria and yeast.
PubMed:Key tricyclic synthetic intermediates for the preparation of the sesquiterpenes alpha- and beta-cedrene.
PubMed:Formal total synthesis of (+/-)-alpha- and beta-cedrene by preparation of cedrone. Construction of the tricyclic carbon skeleton by the use of a highly efficient intramolecular Khand annulation.
PubMed:Cloning, expression, and characterization of epi-cedrol synthase, a sesquiterpene cyclase from Artemisia annua L.
 
Notes:
None found
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