caryophyllene alcohol acetate
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IUPAC name :[(3Z)-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-3-enyl] acetate
InChI :InChI=1/C17H26O2/c1-11-7-9-16(19-13(3)18)12(2)6-8-15-14(11)10-17(15,4)5/h6,14-16H,1,7-10H2,2-5H3/b12-6-
InChIKey :OCLOVRSVPZPWHE-SDQBBNPIBR
SMILES :C/C/1=C/CC2C(CC2(C)C)C(=C)CCC1OC(=O)C
cas number :32214-91-8
(EINECS) number :250-960-1
fl. number :09.338
molar refractivity :77.69 ± 0.4 cm3
parachor :636.9 ± 6.0 cm3
index of refraction :1.498 ± 0.03
surface tension :33.4 ± 5.0 dyne/cm
density :0.99 ± 0.1 g/cm3
polarizability :30.79 ± 0.5 10-24cm3
XlogP : 4.80
XlogP3-AA : 3.70
molecular weight : 262.3871400 (IUPAC)
formula :C17 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Berje :Caryophyllene Acetate
Nanjing :acetyl caryophyllene
orders in chinese.
Penta :caryophyllene acetate
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		fresh sharp cedar woody spicy
Luebke, William tgsc, (1994)
odor sample from :Fragrance Resources Inc.
substantivity :196  Hour(s)
properties :
appearence :white crystals
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00300 @ 25.00 °C.
refractive index :1.49190 @ 20.00 °C.
melting point : 40.00 °C. @ 760.00 mm Hg
boiling point : 149.00 to 152.00 °C. @ 10.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 5.72
safety :
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for caryophyllene alcohol acetate fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
[(3Z)-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-3-enyl] acetate
(EINECS) number :250-960-1
chemidplus :032214918
EPA Substance Registry Services :32214-91-8
references :
 
[(3Z)-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-3-enyl] acetate
fl. number :09.338
pubchem :699087
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
synonyms :
 caryophyllene acetate
 caryophyllene alcohol acetate
(1R-(1R*,5R*,9S*))-4,11,11-trimethyl-8-methylene bicyclo(7.2.0)undec-3-en-5-ol acetate
4,11,11-trimethyl-8-methylene bicyclo(7.2.0)undec-3-en-5-yl acetate
((3Z)-4,11,11-trimethyl-8-methylidene-5-bicyclo(7.2.0)undec-3-enyl) acetate
[(3Z)-4,11,11-trimethyl-8-methylidene-5-bicyclo[7.2.0]undec-3-enyl] acetate
 vetyvenal
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 amber caraneFR
 amber decaneFR
 amber decatrieneFR
 ambrene acetalFR
 ambroxideFL/FR
 amyris acetateFR
 armoise oilFR
 atractylis root oilFR
 bornyl acetateFL/FR
 carvacrolFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
isocaryophylleneCS
alpha-caryophyllene alcoholFL/FR
beta-caryophyllene oxideFL/FR
 cascarilla bark oilFL/FR
 cedanolFR
 cedar cyclododecatrieneFR
 cedarwood oil atlantaFR
 cedarwood oil atlasFR
 cedarwood oil chinaFR
 cedarwood oil epoxidizedFR
 cedarwood oil himalayaFR
 cedarwood oil lebanonFR
 cedarwood oil texasFR
 cedarwood oil virginiaFR
 cedraloneFR
 cedrela wood oilFR
alpha-cedreneFL/FR
 cedrenolFL/FR
 cedrenyl acetateFR
 cedrolFL/FR
 cedryl acetateFL/FR
 chamomile oilFL/FR
 cinnamon bark oilFL/FR
 cinnamon leaf oilFL/FR
 cinnamon oleoresinFL
 clove bud absoluteFL/FR
alpha-copaene 
para-cymeneFL/FR
 cyperus root oilFR
 cypress oilFR
 dihydrojasmoneFL/FR
 elemi oilFL/FR
 estragon oilFL/FR
dextro-fenchoneFL/FR
 formoxymethyl isolongifoleneFR
 frankincense absoluteFL/FR
 frankincense resinoidFL/FR
 galangal root oilFL/FR
 gardenia amideFR
(E)-germacrene DFR
 ginger oleoresinFL
 ginger root oilFL/FR
 ginger root oil brazil 
 grains of paradise oilFL
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
 hemlock western oilFR
 herbal undecanolFR
 herbal undecanoneFR
 hibawood oilFR
 huon pine wood oilFR
 juniper berry oleoresinFL/FR
isolongifolene ketoneFR
 mace oilFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl cedryl ketoneFL/FR
 methyl heptadienoneFL/FR
 methyl phenyl sulfideFL
4-methyl-2,6-dimethoxyphenolFL/FR
 mimosa absoluteFL/FR
 musk dimethyl indaneFL/FR
gamma-muurolene 
 octanal diethyl acetalFL/FR
3-octanolFL/FR
 opoponax absoluteFL/FR
 parsley seed oilFL/FR
 patchouli absoluteFR
 pimento berry absoluteFL/FR
 pine needle oil dwarfFL/FR
isopinocamphoneFL/FR
 rhubarb oxiraneFR
 spicy carbonateFR
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 sugi wood oilFR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy leaf oil dutch 
 tansy oilFR
 tansy oil argentinaFR
 theaspiraneFL/FR
alpha-thujoneFR
beta-thujone 
(E)-tiglic acidFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tricyclodecenyl acetateFR
 turmeric oleoresinFL
 turmeric root absoluteFL
 vanillin propylene glycol acetalFL/FR
 woody acetateFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 woody ketoneFL/FR
 zedoary bark oilFL/FR
potential uses :
 amber
 balsam
 cedar
 herbal
 spice
 woody
natural occurrence in :    note
 clove oil S

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