santalyl butyrate
organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
InChI :InChI=1/C19H30O2/c1-5-7-17(20)21-12-13(2)8-6-9-18(3)14-10-15-16(11-14)19(15,18)4/h8,14-16H,5-7,9-12H2,1-4H3/b13-8+
InChIKey :QDSFSPZPVZEBGR-MDWZMJQEBG
SMILES :CCCC(=O)OC/C(=C/CCC1(C2CC3C1(C3C2)C)C)/C
cas number :67633-99-2
(EINECS) number :266-801-4
molar refractivity :85.67 ± 0.3 cm3
parachor :714.3 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :1.015 ± 0.06 g/cm3
polarizability :33.96 ± 0.5 10-24cm3
XlogP : 5.10
molecular weight : 290.4403000 (IUPAC)
formula :C19 H30 O2
NMR Predictor :Predict
 
 
export tariff code :2915.60.0000
fda reg :unspecified
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		woody balsam fruity rose nutty
Luebke, William tgsc, (1989)
odor sample from :International Flavors & Fragrances Inc.
substantivity :312  Hour(s)
properties :
appearence :colorless clear liquid
assay : 80.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96200 to 0.97000 @ 25.00 °C.
pounds per gallon - calc. : 8.005 to 8.071
specific gravity :0.96300 to 0.97100 @ 20.00 °C.
pounds per gallon - calc. : 8.022 to 8.089
refractive index :1.48200 to 1.48800 @ 20.00 °C.
boiling point : 357.00 to 358.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.10
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
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 santalyl butyrate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
(EINECS) number :266-801-4
chemidplus :067633992
EPA Substance Registry Services :67633-99-2
references :
pubchem :683954
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
synonyms :
 butanoic acid 5-(2,3-dimethyl tricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-yl butyrate
 santalyl butyrate
alpha-santalyl butyrate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 agarwood oilFR
 allyl isononylateFR
alpha-amyl cinnamyl acetateFL/FR
 anise indeneFR
para-anisyl phenyl acetateFL/FR
 benzoin absolute siamFL/FR
 benzoin resin siamFL/FR
 benzoin resinoid siamFL/FR
1-benzoyl acetoneFL/FR
 benzyl acetoneFL/FR
 benzyl isobutyrateFL/FR
laevo-bornyl acetateFL/FR
 boronia absoluteFL/FR
 butyl angelateFL/FR
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cardamom seed oilFL/FR
 cassis buteneoneFL/FR
 cinnamyl anthranilateFR
 cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 cinnamyl propionateFL/FR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
 clove bud oilFL/FR
 conifer acetateFL/FR
 copaiba balsamFL/FR
 coriander oleoresinFL
beta-damascenoneFL/FR
delta-damasconeFL/FR
2-decalinyl acetateFR
N,N-diethyl octanamideFR
 dihydroactinidolideFL
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl octanyl acetateFL/FR
 elemi gumFL/FR
 elemi resinoidFL/FR
 ethyl cinnamateFL/FR
 ethyl linalyl acetateFR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
(E)-ethyl tiglateFL/FR
 fir carboxylateFR
 fir needle oil canadaFL/FR
 fir needle oil terpenelessFL/FR
 fusel oilFL
 galangal root oleoresinFL
 galbanum absoluteFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 geraniolFL/FR
 geranium cyclohexaneFL/FR
 geranyl butyrateFL/FR
 geranyl isobutyrateFL/FR
 geranyl octanoateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 green acetateFR
 guaiacwood oilFL/FR
alpha-guaieneFR
 guaiyl butyrateFR
 gurjun balsam oilFR
alpha-gurjuneneCS
 hemlock western oilFR
 herbal undecanoneFR
 hexyl cinnamate 
 hexyl phenyl acetateFL/FR
 hexyl pivalateFR
4-hydroxybenzaldehydeFL/FR
beta-iononeFL/FR
 juniper berry absoluteFL/FR
 linalool oxide acetatesFL/FR
 linalyl formateFL/FR
 methyl cyclogeranateFR
 methyl hydrogenated rosinateCS
N-methyl iononeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
2-methyl-2-pentenoic acidFL/FR
 muhuhu wood oilFR
 myrrh absoluteFL/FR
 myrrh gumFL/FR
 myrrh resinFR
 myrrh resinoidFR
 myrtenyl isobutyrate 
 nonisyl acetateFR
 nutmeg absoluteFL/FR
 octyl benzoateFR
 octyl formateFL/FR
 patchouli absoluteFR
 patchouli oilFL/FR
 peru balsamFL
 petitgrain lemon oilFL/FR
beta-sesquiphellandrene 
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 phenethyl valerateFL/FR
3-phenyl propyl isobutyrateFL/FR
 phenyl salicylateFR
 pine needle oil dwarfFL/FR
 prenyl benzoateFL/FR
 propyl 2-furan acrylateFL/FR
 rhodinyl butyrateFL/FR
 rose absolute moroccoFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil moroccoFL/FR
(E)-sabinene hydrateFL/FR
 sandalwood oilFL/FR
 sandalwood oil west australiaFR
 spicy acetoacetateFL/FR
 terpinyl butyrateFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinoidFR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
 vetiverolFL/FR
potential uses :
 aldehydic
 amber
 balsam
 moss
 oriental
 rose
 woody
natural occurrence in :    note
 not found in nature  

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