alpha-copaene
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InChI :InChI=1/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3
InChIKey :VLXDPFLIRFYIME-UHFFFAOYAC
SMILES :CC1=CCC2C3C1C2(CCC3C(C)C)C
cas number :3856-25-5
(EINECS) number :223-364-4
beilstein number :3196858
molar refractivity :65.00 ± 0.3 cm3
parachor :512.3 ± 6.0 cm3
index of refraction :1.509 ± 0.02
surface tension :30.7 ± 3.0 dyne/cm
density :0.939 ± 0.06 g/cm3
polarizability :25.76 ± 0.5 10-24cm3
XlogP : 4.80
XlogP3-AA : 4.50
molecular weight : 204.3510600 (IUPAC)
formula :C15 H24
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Sigma-Aldrich-Aldrich :(-)-a-Copaene
technical grade, ≥90% (sum of enantiomers, G
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organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		woody spice
properties :
appearence :colorless clear viscous liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.91000 @ 25.00 °C.
refractive index :1.49000 @ 20.00 °C.
boiling point : 124.00 °C. @ 15.00 mm Hg
boiling point : 246.00 to 251.00 °C. @ 760.00 mm Hg
vapor pressure :0.03800 mm/Hg @ 25.00 °C.
flash point : 109.00  °F.  TCC  ( 42.78 °C. )
logP (o/w) : 5.71
safety :
most important hazard(s) :Xi - Irritant
  R 10 - Flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 37 - Wear suitable gloves.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :natural substances and extractives
 
recommendation for alpha-copaene fragrance usage levels up to :
 not for fragrance use.
recommendation for alpha-copaene flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
 
WGK Germany :3
 
 
 
(EINECS) number :223-364-4
chemidplus :003856255
EPA Substance Registry Services :3856-25-5
references :
NIST Chemistry WebBook :119137055
pubchem :162612
Flavornet :3856-25-5
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 aglaiene
 copaene
(-)-alpha-copaene
1,3-dimethyl-8-(1-methyl ethyl) tricyclo(4.4.0.0.02,7-)dec-3-ene stereoisomer
8-isopropyl-1,3-dimethyl tricyclo(4.4.0.02,7)dec-3-ene
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 amber caraneFR
 atractylis root oilFR
 carvacrolFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
isocaryophylleneCS
alpha-caryophyllene alcoholFL/FR
 caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cascarilla bark oilFL/FR
 cedarwood oil atlasFR
 chamomile oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon bark oil (cinnamomum zeylanicum blume) indiaFL/FR
 cinnamon leaf oilFL/FR
 cinnamon oleoresinFL
 clove bud absoluteFL/FR
para-cymeneFL/FR
 dihydrojasmoneFL/FR
 elemi oilFL/FR
 frankincense absoluteFL/FR
 frankincense resinoidFL/FR
 galangal root oilFL/FR
(E)-germacrene DFR
 ginger oleoresinFL
 ginger root oilFL/FR
 ginger root oil brazil 
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
 huon pine wood oilFR
 juniper berry oleoresinFL/FR
 mace oilFL/FR
 methyl heptadienoneFL/FR
 methyl phenyl sulfideFL
4-methyl-2,6-dimethoxyphenolFL/FR
 mimosa absoluteFL/FR
gamma-muurolene 
 octanal diethyl acetalFL/FR
3-octanolFL/FR
 opoponax absoluteFL/FR
 orthodon dianthera maxim. oil vietnam 
 parsley seed oilFL/FR
 patchouli absoluteFR
 pimento berry absoluteFL/FR
 pine needle oil dwarfFL/FR
 rhubarb oxiraneFR
 spicy carbonateFR
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy leaf oil dutch 
 tansy oilFR
 theaspiraneFL/FR
(E)-tiglic acidFL/FR
 turmeric oleoresinFL
 turmeric root absoluteFL
 vanillin propylene glycol acetalFL/FR
 zedoary bark oilFL/FR
potential uses :
 amber
 balsam
 moss
 oriental
 orris iris
 spice
 woody
natural occurrence in :    note
data pageallamanda cathartica linn. flower oil brazil @ 0.30% S
data pageangelica root oil @ 0.57% S
data pageangelica seed oil @ 2.30% S
data pageangelica seed oil CO2 extract @ 0.20% S
data pageanise seed oil star china @ 0.10% S
data pageartemisia campestris spp. glutinosa flower oil italy @ 0.40% S
data pageayou wood oil @ 2.20% S
data pagebasil oil CO2 sweet @ 9.68% S
data pagebasil oil sweet @ 0.99% S
data pagebasil oil sweet egypt @ 0.19% S
data pagebasil oil sweet poland @ 0.37% S
data pagebay leaf oil @ 0.32-0.41% S
data pagebay leaf oil clove @ 0.4% S
data pagebay leaf oil lemon @ 0.9% S
 bergamot plant wild S
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.022% S
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.022% S
data pageblood orange oil italy @ 0.024% S
data pagecabocla flower oil brazil @ 0.20% S
data pagecajuput oil vietnam @ trace% S
data pagecalamus leaf oil @ 0.04% S
data pagecalamus rhizome oil @ 0.07% S
data pagecalamus root oil @ 0.05% S
data pagecalamus root oil mongolia @ 0.30% S
data pagecananga leaf oil @ 2.9% S
data pagecarrot leaf oil @ 0.80% S
data pagecarrot seed oil @ 0.17% S
data pagecarrot seed oil spain @ trace-0.32% S
data pagecascarilla bark oil @ 0.39% S
data pagecassia bark oil china @ 1.40% S
data pagecassia leaf oil china @ 1.40% S
data pagecassinia laevis flower oil australia @ 1.90% S
data pagecassinia laevis leaf oil australia @ 1.60% S
data pagecedrela wood oil @ 15.60% S
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.40% S
data pagecinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ 0.04-0.05% S
data pagecinnamon bark oil ceylon @ 1.40% S
data pagecinnamon fruit oil india @ 1.8-3.1% S
data pagecistus oil @ 1.1% S
data pagecitronella oil ceylon @ 0.04% S
data pagecitronella oil china @ 0.13% S
data pagecitronella oil java @ 0.08% S
data pagecitronella oil zimbabwe @ 0.48% S
data pageclary sage oil france @ 0.10-0.20% S
data pageclary sage oil greece @ 0.50% S
data pagecostmary oil @ 0.15% S
data pagecroton cajucara benth. leaf oil brazil @ 0.50% S
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.60% S
data pagecubeb oil @ 4.01% S
data pagecurry leaf oil india @ 0.10% S
data pagecurry wood leaf oil australia @ 0.20% S
data pagecypress cone oil egypt @ trace% S
data pagecypress oil @ trace-0.06% S
data pageeucalyptus globulus bud oil @ 0.10% S
data pageeucalyptus globulus fruit oil @ 0.08% S
data pageeucalyptus globulus maidenii f. muell oil @ 0.07% S
data pageeucalyptus globulus oil @ 0.06% S
data pageeucalyptus globulus oil burundia @ 0.20% S
data pageeucalyptus globulus pseudoglobulus oil @ 0.09% S
data pagefeatherfew leaf oil @ trace% S
data pagefleabane oil @ 0.10% S
data pagegeranium leaf oil india @ 0.17% S
data pagegeranium oil rwanda @ 0.39% S
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.20% S
data pagegeranium stem oil india @ 0.29% S
data pageginger root oil brazil @ 0.50% S
data pageglycosmis pentaphylla (cor.) bark oil india @ 0.20% S
data pagegrapefruit oil c.p. @ 0.04% S
data pagegrapefruit oil c.p. @ 0.04% S
data pagegrapefruit oil c.p. @ 0.13% S
data pagegrapefruit oil c.p. italy @ 0.06% S
data pagegrapefruit oil california @ 0.11% S
data pagegrapefruit oil CO2 extract @ 0.34% S
data pageguava fruit headspace reunion @ 0.10% S
data pageguava fruit oil reunion @ 2.80% S
data pageguava leaf oil cuba @ 0.20% S
data pageho leaf oil @ 0.11% S
data pagejambu flower oil brazil @ 0.10% S
data pagejuniper berry oil @ 0.40% S
data pagejuniper branch oil @ 0.30% S
data pagelabdanum leaf oil @ 0.80% S
data pagelabdanum oil @ 0.79% S
data pagelaurel leaf oil turkey @ <0.10% S
data pagelavender oil france @ trace% S
data pagelemon verbena oil morocco @ 0.6% S
data pagelemon verbena oil turkey @ 0.58% S
data pagelemongrass oil @ 0.08% S
data pagelovage root oil @ 0.19% S
data pagemace oil CO2 extract @ 0.40% S
data pagemandarin oil uruguay @ 0.02-0.03% S
data pagemanuka var. scoparium oil new zealand @ 5.86% S
data pagemarjoram oil sweet cyprus @ trace-0.20% S
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 5.30% S
data pagemastic fruit oil @ 0.07% S
data pagemastic leaf oil @ 0.28% S
data pagemelissa oil slovak republic @ 0.67% S
data pagemikan peel oil @ 0.06% S
data pagemikania cordata (burm. f.) b.l. robinson var. cordata leaf oil france @ 2.00% S
data pagenepeta betonicifolia c.a. meyer oil turkey @ 0.40% S
data pagenutmeg extract co2 west indian @ 0.60% S
data pageorange peel oil bitter china @ 0.05% S
data pageorange peel oil sweet c.p. blond italy @ 0.018% S
data pageorange peel oil sweet c.p. blond italy @ 0.019% S
data pageorange peel oil sweet c.p. blond italy @ 0.020% S
data pageorange peel oil sweet c.p. blond italy @ 0.023% S
data pageorange peel oil sweet c.p. blond italy @ 0.024% S
data pageoregano oil mexico @ 0.06% S
data pageparsley leaf oil @ 0.02% S
data pagepatchouli oil @ 2.01% S
data pagepepper oil black india @ 1.20% S
data pagepepper tree berry oil @ 0.12% S
data pagepepper tree leaf oil @ 0.02% S
data pagepersea americana mill. fruit oil cuba @ 9.40% S
data pagepetitgrain combava oil @ 0.06%  
data pagepetitgrain mandarin oil @ 0.02% S
data pagephlomis fruticosa l. flower oil greece @ 1.20% S
data pagephoebe oil brazil @ 6.25% S
data pagepine needle oil dwarf @ 0.62% S
data pagepinus sylvestris l. needle oil estonia @ 0.10% S
data pagepiper cernum vell. var. cernum yuncker leaf oil brazil @ 0.20% S
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.10% S
data pagepolyalthia australis (benth.) jessup leaf oil australia @ 2.70% S
data pageprangos uechtritzii boiss. et hausskn. fruit oil turkey @ 0.30% S
data pageprangos uloptera dc. oil iran @ 2.00% S
data pageprangos uloptera dc. seed oil iran @ trace% S
data pageprotium heptaphyllum (aubl.) march leaf oil brazil @ 3.40% S
data pagerosemary oil egypt @ 0.14% S
data pagesage oil albania @ trace% S
data pagesage oil spain @ 0.0-0.1% S
data pagesantolina oil @ 0.13% S
data pagesatureja viminea l. oil costa rica @ 0.30% S
data pagesideritis montana l. oil bulgaria @ 1.20% S
data pagesideritis scardica l. oil bulgaria @ 1.70% S
data pagesideritis syriaca l. oil bulgaria @ 0.90% S
data pagesugandha kokila berry oil @ 4.70% S
data pagesundacarpus amarus (blume) c.n. page leaf oil australia @ trace% S
data pagetansy flower oil canada @ 0.10% S
data pagetansy oil canada @ 0.10% S
data pagetea tree oil australia @ 0.17% S
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 2.20% S
data pagethyme absolute @ 2.10% S
data pagethyme oil red CO2 extract @ 0.22% S
data pagethyme oil red spain @ trace% S
data pagevalerian root oil @ trace-0.2% S
data pagewormwood flower oil annus america @ 0.31% S
data pagewormwood leaf oil annus america @ 1.10-1.55% S
data pagewormwood oil annus france @ 0.00-1.33% S
data pagewormwood oil italy @ 0.2% S
data pagexylopia aromatica (lam.) mart. leaf oil cuba @ 0.10% S
data pageyarrow oil greece @ trace% S
data pageylang ylang oil @ 0.13% S
data pageylang ylang oil CO2 extract @ 0.93% S
data pageylang ylang oil I (cananga odorata hook. f. and thomas.) @ 0.81% S
data pageylang ylang oil II (cananga odorata hook. f. and thomas.) @ 1.22% S
data pageylang ylang oil III @ 1.60% S
data pagezanthoxylum ovalifolium l. leaf oil australia @ 0.30% S

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