alpha-santalol
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InChI :InChI=1/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3/b10-5+
InChIKey :PDEQKAVEYSOLJX-BJMVGYQFBE
SMILES :C/C(=C\CCC1(C2CC3C1(C3C2)C)C)/CO
cas number :115-71-9
(EINECS) number :204-102-8
fema number :3006
coe number :74
fl. number :02.217
molar refractivity :66.90 ± 0.3 cm3
parachor :547.2 ± 4.0 cm3
index of refraction :1.537 ± 0.02
surface tension :42.8 ± 3.0 dyne/cm
density :1.030 ± 0.06 g/cm3
polarizability :26.52 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 220.3504600
formula :C15 H24 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
woody sandalwood

properties :
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 299.00 to 302.00 °C. @ 760.00 mm Hg
boiling point : 159.00 to 160.00 °C. @ 10.00 mm Hg
flash point : 281.00  °F.  TCC  ( 138.33 °C. )
logP (o/w) : 4.96

safety :
Oral Toxicity(LD50) :
  Oral-Rat    3800.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 991, 1974.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 991, 1974.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for alpha-santalol usage levels up to :
  4.0000 % in the fragrance concentrate.

safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
(EINECS) number :204-102-8
chemidplus :000115719
EPA Substance Registry Services :115-71-9

references :
fl. number :02.217
NIST Chemistry WebBook :2771931016
pubchem :151420

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
alpha-argeol
 arheol
(Z)-alpha-5-(2,3-dimethyl tricyclo(2.2.1.0(2,6))hept-3-yl)-2-methyl-2-penten-1-ol
(Z)-alpha-5-(2,3-dimethyl tricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-penten-1-ol stereoisomer
12-alpha-santalen-14-ol
(Z)-alpha-santalol
cis-alpha-santalol
delta-alpha-santalol
dextro-alpha-santalol

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 :
 amber
 ambergris
 ambreine
 amyris
 angelica
 ash mountain ash
 bark
 bayberry
 beech wood tar
 benzoin
 bergamot
 birch tar
 bois de rose rosewood
 boronia
 boxwood
 buchu
 cabreuva
 cade
 calamus
 cardamom
 cascarilla
 cassie acacia farnesiana
 cedar
 cedar forest
 cedarwood
 cedarwood atlas
 celery
 cigar box
 cistus
 citronella
 clary sage
 costus
 cypress
 dogwood
 elemi
 estragon
 fern fougere
 forest
 forest pine forest
 galanga
 galbanum
 ginger
 gingergrass
 grass sweet grass
 guaiacwood
 gurjun
 hay new mown hay foin coupe
 heather
 hinoki
 hyssop
 iris blossom
 juniper
 juniperberry
 labdanum
 mace
 maja
 mimosa wattle
 oakwood
 olibanum frankincense
 opoponax
 orange bitter orange
 oregano
 orris iris
 osmanthus
 patchouli
 pine dwarf pine
 pine needle
 pine scotch pine
 pinon cone
 redwood
 sandalwood
 spikenard
 spruce
 tansy tanaisie
 tarragon
 timber
 tolu balsam
 valerian
 vetiver
 woody
 wormseed chenopodium

natural occurrence in :
data pagekewda oil @ trace-0.21%
data pageosmanthus absolute @ 0.03%
data pagesage oil england @ 0.30%



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