cedrenyl acetate
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InChI :InChI=1/C17H26O2/c1-11-5-6-15-16(3,4)14-9-17(11,15)8-7-13(14)10-19-12(2)18/h7,11,14-15H,5-6,8-10H2,1-4H3/t11-,14+,15+,17+/m1/s1
InChIKey :AICQDCHSUWFHCC-ZUFFMMDNBB
SMILES :C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)COC(=O)C
cas number :1405-92-1
(EINECS) number :215-789-9
molar refractivity :76.11 ± 0.4 cm3
parachor :618.3 ± 6.0 cm3
index of refraction :1.517 ± 0.03
surface tension :36.6 ± 5.0 dyne/cm
density :1.04 ± 0.1 g/cm3
polarizability :30.17 ± 0.5 10-24cm3
XlogP : 4.20
XlogP3-AA : 3.90
molecular weight : 262.3871400 (IUPAC)
formula :C17 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
John D. Walsh :Cedrenyl Acetate
(Cedryl Acetate)
Nanjing :1H-3a,7-methanoazulene-6-methanol,2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-,acetate,(3R,3aS,7R,8aS)-
orders in chinese only.
organoleptics :
odor type :woody
odor strength :medium
odor description¹ :
at 100.00 %.  		sharp dry woody cedar peanut waxy vetiver
odor sample from :International Flavors & Fragrances Inc.
substantivity :400  Hour(s)
properties :
appearence :pale yellow clear oily liquid to solid
assay : 70.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98600 to 0.99600 @ 25.00 °C.
pounds per gallon - calc. : 8.205 to 8.288
specific gravity :0.98700 to 0.99700 @ 20.00 °C.
pounds per gallon - calc. : 8.222 to 8.306
refractive index :1.49100 to 1.50100 @ 20.00 °C.
boiling point : 332.00 to 333.00 °C. @ 760.00 mm Hg
flash point :> 199.00  °F.  TCC  ( > 92.78 °C. )
logP (o/w) : 5.54
safety :
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 743, 1975.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 743, 1975.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for cedrenyl acetate fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for cedrenyl acetate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
(EINECS) number :215-789-9
chemidplus :001405921
EPA Substance Registry Services :1405-92-1
references :
pubchem :679541
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
(3R- (3alpha,3abeta, 7beta,8aalpha))- 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
 acetoxymethyl isolongifoleneFR
 amber decaneFR
 amber decatrieneFR
 amber formateFR
 amber naphthofuranFL/FR
 amber pentadecaneFR
 amber spiroleneFR
 ambrene acetalFR
 ambrette seed absoluteFL/FR
 ambroxideFL/FR
 amyris acetateFR
1-benzoyl acetoneFL/FR
 bergoxaneFR
isobutyl iononeFR
isobutyl quinolineFR
 cabreuva oilFR
alpha-cadinene 
delta-cadinene 
 caryophyllene alcohol acetateFL/FR
beta-caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cedanolFR
 cedar cyclododecatrieneFR
 cedarleaf oil western redFR
 cedarwood absolute atlasFR
 cedarwood oil atlantaFR
 cedarwood oil atlasFR
 cedarwood oil epoxidizedFR
 cedarwood oil himalayaFR
 cedarwood oil texasFR
 cedarwood oil virginiaFR
 cedraloneFR
 cedrela wood oilFR
alpha-cedreneFL/FR
 cedrenolFL/FR
 cedrolFL/FR
 cedrol methyl etherFR
 cedryl acetateFL/FR
 cedryl formateFR
2-decalinyl formateFR
 dehydro beta-linaloolFL/FR
2-(1,1-dimethyl ethyl)-4-methyl cyclohexanolFR
 fenchyl alcoholFL/FR
 floral undecenoneFR
 formoxymethyl isolongifoleneFR
 grapefruit indeneFR
 grapefruit nitrileFR
 grapefruit pentanolFR
 guaiacwood oilFL/FR
 guaiacyl acetateFL/FR
 guaieneFL/FR
 hemlock western oilFR
 herbal careneFR
 herbal norbornaneFR
 hibawood oilFR
 hinoki root oilFR
alpha-ionolFL/FR
alpha-ionyl acetateFR
isojasmoneFL/FR
 labdanum ethanoneFR
 labdanum oilFL/FR
 labdanum resinoidFR
 lavandin water absoluteFL/FR
 lily pentanalFR
isolongifolene epoxideFR
isolongifolene ketoneFR
para-menth-3-en-1-olFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl cedryl ketoneFL/FR
 methyl cyclocitroneFR
alpha-isomethyl ionolFR
 methyl ionyl acetateFL/FR
isomethyl tetrahydroionyl acetateFR
 methyl vetivateFR
 mimosa absoluteFL/FR
 muhuhu wood oilFR
 nerolidolFL/FR
 orange oil bitterFL/FR
 orange peel oil bitter chinaFL/FR
 orange peel oil bitter italyFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 peanut oxazoleFL
 phenethyl hexanoateFL/FR
 phenyl glycol diacetateFR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 sandalwood oil west australiaFR
 seaweed absoluteFL/FR
 sugi wood oilFR
 timber propanolFR
 tobacco noneneFR
 treemoss absoluteFR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tridecanoic acidFL/FR
 vetiver pentanoneFR
 vetiveryl acetateFL/FR
 woody acetateFR
 woody carboxylateFR
 woody dodecaneFR
 woody epoxideFR
 woody etherFR
 woody propanolFR
potential uses :
 amber
 cedar
 herbal
 moss
 oriental
 woody
natural occurrence in :    note
 not found in nature  

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