alpha-cedrene
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IUPAC name :(3R-(3a,3ab,7b,8aa))-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
InChI :InChI=1/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13+,15u/m1/s1
InChIKey :IRAQOCYXUMOFCW-UQJCBBSYBO
SMILES :C[C@@H]1CC[C@@H]2C13CC=C(C(C3)C2(C)C)C
cas number :469-61-4
(EINECS) number :207-418-4
beilstein number :3196861
coe number :10985
fl. number :01.022
molar refractivity :64.99 ± 0.4 cm3
parachor :512.6 ± 6.0 cm3
index of refraction :1.515 ± 0.03
surface tension :32.0 ± 5.0 dyne/cm
density :0.94 ± 0.1 g/cm3
polarizability :25.76 ± 0.5 10-24cm3
XlogP : 4.90
XlogP3-AA : 4.60
molecular weight : 204.3510600 (IUPAC)
formula :C15 H24
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Fleurchem :cedrene
Nanjing :alpha-cedrene
orders in chinese only.
Penta :cedrene
organoleptics :
odor type :woody
odor strength :medium
odor description¹ :
at 100.00 %.  		woody cedar sweet fresh
odor sample from :Elan Chemical, Inc.
substantivity :112  Hour(s)
properties :
appearence :colorless clear oily liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93200 to 0.93800 @ 25.00 °C.
pounds per gallon - calc. : 7.755 to 7.805
refractive index :1.50000 to 1.50600 @ 20.00 °C.
boiling point : 261.00 to 262.00 °C. @ 760.00 mm Hg
flash point : 219.00  °F.  TCC  ( 103.89 °C. )
logP (o/w) : 6.38
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 5 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3700 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
Category :flavor and fragrance agents
 
recommendation for alpha-cedrene fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 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 (EFFA, 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) : --
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...
EPI System :view
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 
(3R-(3a,3ab,7b,8aa))-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
(EINECS) number :207-418-4
RTECS :PB7725000 for cas# 469-61-4
chemidplus :000469614
EPA Substance Registry Services :469-61-4
references :
 
(3R-(3a,3ab,7b,8aa))-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
fl. number :01.022
NIST Chemistry WebBook :469614
pubchem :153334
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
synonyms :
(-)-alpha-cedrene
laevo-alpha-cedrene
(3R- (3alpha,3abeta, 7beta,8aalpha))- 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
(1S,2R,5S)-2,6,6,8-tetramethyl tricyclo(5.3.1.01.5)undec-8-ene
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 abies sibirica oilFL/FR
 acetyl cedreneFR
beta-amberoneFL/FR
 ambrette seed oilFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl salicylateFL/FR
 benzylidene acetoneFL
 bois de rose oilFL/FR
isobornyl acetateFL/FR
 cananga oilFL/FR
 caraway seed oilFL/FR
 cardamom seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 castoreum absoluteFL/FR
 cedarleaf oilFL/FR
 cedarwood oils 
 cedrela wood oilFR
 cedroxideFR
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 clary sage oilFL/FR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 cypress oilFR
gamma-decalactoneFL/FR
 decanolFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 elecampane absoluteFL
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 ginger root oilFL/FR
 green acetateFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 heliotropyl acetoneFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 indoleFL/FR
 ionones 
 juniper berry oilFL/FR
 labdanum resinoidFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
laevo-linaloolFL/FR
 machilus oil 
 methyl cedryl ketoneFL/FR
 methyl ionones 
 musks 
 nerolidolFL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 origanum oilFL/FR
 orris absoluteFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 phenethyl alcoholFL/FR
 phenyl dimethyl carbinol 
3-phenyl propyl alcoholFL/FR
 pine oil 
 rosemary oilFL/FR
 sage oilFL/FR
 santallFR
 spike lavender oilFL/FR
 spruce oilFL/FR
alpha-terpinyl acetateFL/FR
 tonka bean absoluteFR
 treemoss absoluteFR
10-undecen-1-alFL/FR
 vanillinFL/FR
 verymossFR
 vetiver oilFL/FR
 watermelon ketoneFR
 woody acetateFR
potential uses :
 balsam
 cedar
 cedarwood
 clary sage
 costus
 herbal
 juniper
 lavender
 sandalwood
 sassafras
 topnotes
 woody
natural occurrence in :    note
 artichoke - 0.0007 mg/kg S
data pageayou wood oil @ 0.10% S
data pagecalamus root oil @ 0.61% S
data pagecedarwood oil atlanta @ 20.50% S
data pagecedarwood oil china @ 26.40% S
data pagecedarwood oil lebanon @ 0.20% S
data pagecedarwood oil texas @ 30.70% S
data pagecedarwood oil virginia @ 21.10% S
 cedarwood oils  
 clary sage S
data pageclary sage oil spain @ 0.14% S
 costus S
data pagecypress cone oil egypt @ 0.2% S
data pagecypress oil @ trace-0.19% S
data pagefir needle oil canada @ 0.00-0.27% S
data pageginger root oil china @ 3.39% S
data pageguava leaf oil cuba @ 0.20% S
 lavender  
data pagelavender oil france @ 0.05% S
data pagelemon verbena oil morocco @ 0.4% S
data pagelemon verbena oil turkey @ 0.43% S
data pagephoebe oil brazil @ 0.11% S
data pagepinus laricio poiret branch oil italy @ 0.50% S
data pageverbena oil france @ 0.20% S
data pageylang ylang oil CO2 extract @ 0.21% S

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