(+)-alpha-santalyl acetate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate
InChI :InChI=1/C17H26O2/c1-11(10-19-12(2)18)6-5-7-16(3)13-8-14-15(9-13)17(14,16)4/h6,13-15H,5,7-10H2,1-4H3/b11-6-/t13?,14-,15+,16-,17?/m1/s1
InChIKey :IXRPKRWXUJOOBZ-AVMVYAPKBH
SMILES :C/C(=C/CC[C@@]1(C2C[C@H]3C1([C@H]3C2)C)C)/COC(=O)C
cas number :41414-75-9
fema number :3007
molar refractivity :76.40 ± 0.3 cm3
parachor :634.8 ± 4.0 cm3
index of refraction :1.516 ± 0.02
surface tension :39.6 ± 3.0 dyne/cm
density :1.037 ± 0.06 g/cm3
polarizability :30.29 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 262.3871400
formula :C17 H26 O2
 
 
export tariff code :2915.39.9050
fda reg :unspecified
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
woody sandalwood powdery
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear viscous liquid
assay : 50.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 323.00 to 325.00 °C. @ 760.00 mm Hg
logp : 5.36

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 223.00  °F.  TCC  ( 106.11 °C. )
recommendation for (+)-alpha-santalyl acetate usage levels up to :
  10.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
 
 5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate
chemidplus :041414759
EPA Substance Registry Services :41414-75-9
NLM Chemical Carcinogenesis Research Information System :41414-75-9
NLM Developmental and Reproductive Toxicity :41414-75-9
NLM Env. Mutagen Info. Center :41414-75-9
NLM GENetic TOXicology :41414-75-9

references :
 5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl acetate
pubchem :791502

other :
synonyms :
5-(2,3-dimethyl tricyclo(2.2.1.0(sup 2,6))hept-3-yl)-2-methyl-2-penten-1-ol acetate stereoisomer
alpha-santalol acetate
(+)-alpha-santalyl acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 agarwood oil
beta-amberone
 ammoniscum
 bergamot oil
 boronia absolute
 bucinal
 cassie absolute
 castoreum absolute
 cedarwood oil
 cinnamyl acetate
 citronellyl formate
 clary sage oil
 clove bud oil
 copaiba balsam oil
 coriander seed oil
 costus root oil
 coumarin
 decalinyl formate
 elecampane absolute
 epicylene
 eugenol
 geraniol
 geranium oil
 ginger root oil
 heliotropin
 heliotropyl acetone
 hydroxycitronellal
 ionones
 juniper berry oil
 labdanum resinoid
 lavender absolute
 lilac pentanol
 linalool
 mace oil
 machilus oil
 methyl benzoate
 musk indanone
 musks
 myrrh oil
 nerolidol
 novoviols
 nutmeg oil
 oakmoss absolute
 olibanum oil
 opoponax oil
 orris absolute
 patchouli oil
 peru balsam oil
 phenethyl alcohol
 rose absolute
 rose carboxylate
 tolu balsam
2,4,6-trimethyl-3-cyclohexene nitrile
 tuberose absolute
 vetiver oil
 watermelon ketone

(odor and/or flavor) used in :
 apricot
 balsam
 berry
 geranium
 heather
 lilac lilas syringa
 musk
 oriental
 peach
 pineapple
 root
 sandalwood

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008