santalyl butyrate
organoleptics  properties  safety  references  cosmetics    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
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 :¹
at 100.00 %.  
woody balsam fruity rose nutty
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 :
 
recommendation for santalyl butyrate usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for santalyl butyrate usage levels up to :
 not for flavor use.

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 :
reference : Luebke, William tgsc, (1989)¹
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
alpha-santalyl butyrate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 agarwood oil
 allyl isononylate
alpha-amyl cinnamyl acetate
 anise indene
para-anisyl phenyl acetate
 benzoin absolute siam
 benzoin resin siam
 benzoin resinoid siam
1-benzoyl acetone
 benzyl acetone
 benzyl isobutyrate
laevo-bornyl acetate
 boronia absolute
 butyl angelate
 butyl benzoate
isobutyl cinnamate
 cananga oil
 cananga oil china
 cardamom seed oil
 cassis buteneone
 cinnamyl anthranilate
 cinnamyl butyrate
 cinnamyl formate
 cinnamyl propionate
 citronellal diisotridecyl acetal
 citronellyl acetate
 citronellyl anthranilate
 citronellyl hexanoate
(E)-citronellyl tiglate
 clove bud oil
 conifer acetate
 copaiba balsam
 coriander oleoresin
beta-damascenone
delta-damascone
2-decalinyl acetate
N,N-diethyl octanamide
 dihydroactinidolide
 dimethyl benzyl carbinyl acetate
 dimethyl octanyl acetate
 elemi gum
 elemi resinoid
 ethyl cinnamate
 ethyl linalyl acetate
 ethyl nonanoate
 ethyl ortho-anisate
(E)-ethyl tiglate
 fir carboxylate
 fir needle oil canada
 fir needle oil terpeneless
 fusel oil
 galangal root oleoresin
 galbanum absolute
 galbanum oleoresin
 galbanum resinoid
 geraniol
 geranium cyclohexane
 geranyl butyrate
 geranyl isobutyrate
 geranyl octanoate
 geranyl propionate
 geranyl valerate
 green acetate
 guaiacwood oil
alpha-guaiene
 guaiyl butyrate
 gurjun balsam oil
alpha-gurjunene
 hemlock western oil
 herbal undecanone
 hexyl cinnamate
 hexyl phenyl acetate
 hexyl pivalate
4-hydroxybenzaldehyde
beta-ionone
 juniper berry absolute
 linalool oxide acetates
 linalyl formate
 methyl cyclogeranate
 methyl hydrogenated rosinate
N-methyl ionone
alpha-isomethyl ionone (90% min.)
2-methyl-2-pentenoic acid
 muhuhu wood oil
 myrrh absolute
 myrrh gum
 myrrh resin
 myrrh resinoid
 myrtenyl isobutyrate
 nonisyl acetate
 nutmeg absolute
 octyl benzoate
 octyl formate
 patchouli absolute
 patchouli oil
 peru balsam
 petitgrain lemon oil
beta-sesquiphellandrene
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenethyl valerate
3-phenyl propyl isobutyrate
 phenyl salicylate
 pine needle oil dwarf
 prenyl benzoate
 propyl 2-furan acrylate
 rhodinyl butyrate
 rose absolute morocco
 rosemary absolute
 rosemary oil
 rosemary oil morocco
(E)-sabinene hydrate
 sandalwood oil
 sandalwood oil west australia
 spicy acetoacetate
 terpinyl butyrate
 tolu balsam absolute
 tolu balsam resinoid
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 vetiverol

(odor and/or flavor) used in :
 aldehydic
 amber
 balsam
 moss
 oriental
 rose
 woody

natural occurrence in :
not found in nature



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