sandal pentanol
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IUPAC name :3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pentan-2-ol
InChI :InChI=1/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3
InChIKey :NGYMOTOXXHCHOC-UHFFFAOYAJ
SMILES :CC1=CCC(C1(C)C)CCC(C)C(C)O
cas number :65113-99-7
(EINECS) number :265-453-0
molar refractivity :65.99 ± 0.3 cm3
parachor :552.2 ± 6.0 cm3
index of refraction :1.461 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.875 ± 0.06 g/cm3
polarizability :26.16 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 210.3556400 (IUPAC)
formula :C14 H26 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Berje :Sandasweet
(Sandalore®Type)
Givaudan :Sandalore®
Odor:  Sandalwood, Warm, Sweet
Moellhausen :sandalorex
88% min. artifical kosher
Odor:  WARM, SWEET, SANDALWOOD
Penta :sandalore
Vigon :Sandalore

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
sweet sandalwood amyris woody
odor sample from :Givaudan Corporation
substantivity :400  Hour(s)

properties :
appearence :pale yellow clear viscous liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90000 @ 25.00 °C.
refractive index :1.47200 @ 20.00 °C.
boiling point : 95.00 to 98.00 °C. @ 0.50 mm Hg
vapor pressure :0.00130 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.73

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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) :
  Oral-Rat    6700.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for sandal pentanol usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for sandal pentanol 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
 
 
 
 3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pentan-2-ol
(EINECS) number :265-453-0
chemidplus :065113997
EPA Substance Registry Services :65113-99-7

references :
 3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pentan-2-ol
pubchem :680702

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
synonyms :
3-methyl-5-(2,2,3-trimethyl-1-cyclopent-3-enyl)pentan-2-ol
 pentamethyl cyclopent-3-ene butanol
alpha,beta,2,2,3-pentamethyl cyclopent-3-ene-1-butanol
 sandalore
 sandalorex
5-(2,2,2-trimethyl cyclopent-3-en-1-yl)-3-methyl pentan-2-ol

soluble in :
 alcohol
 water, 17 mg/L @ 20C

insoluble in :
 water

(odor and/or flavor) blends with :
 amber carbinol
 ambrette seed oil
 ambroxan
isoamyl benzoate
isoamyl salicylate
 amyris wood oil
 angelica root oil
para-anisyl alcohol
 beeswax absolute
 benzoin resinoid
 benzyl salicylate
 bergamot oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
 boronia absolute
 carrot seed oil
 cassia bark oil
 cassie absolute
 castoreum absolute
 cedarwood oils
 cinnamyl acetate
 cinnamyl alcohol
 citronellol
 citronellyl formate
 clary sage oil
 clover nitrile
 copaiba balsam oil
 coriander seed oil
 costus root oil
 coumarin
para-cresyl caprylate
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanol
9-decen-1-ol
 decyl acetate
 dimethyl anthranilate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
 dimethyl hydroquinone
 dodecanal
 dodecanol
 ethyl cinnamate
 ethyl laurate
 ethyl phenyl acetate
 ethyl vanillin
 eugenol
 fir balsam absolute
 fir needle oil
 floral pyranol
 frankincense oil
 grapefruit pentanol
 green acetate
 guaiacwood oil
 gurjun balsam oil
 hay absolute
 heliotropin
 heliotropyl acetate
 heliotropyl diethyl acetal
gamma-heptalactone
gamma-hexalactone
(Z)-3-hexen-1-yl salicylate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hyacinth ether
 hydroxycitronellal
 indole
 ionones
 labdanum resinoid
 leerall
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 mace oil
 marine pyridine
 melon nonenoate
 methyl acetophenone
 methyl benzoate
 methyl cedryl ketone
alpha-methyl cinnamaldehyde
 methyl cinnamate
 methyl dihydrojasmonate
 methyl ionones
 methyl isoeugenol
 methyl octine carbonate
 mimosa absolute
 muguet carboxaldehyde
 musks
 nerolidol
 nutmeg oil
 oakmoss absolute
 ocean propanal
gamma-octalactone
 olibanum oil
 orris absolute
 orris pyridine
 patchouli ethanone
 patchouli oil
 peru balsam oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl phenyl acetate
 phenethyl salicylate
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 raspberry ketone
 raspberry ketone acetate
 raspberry ketone methyl ether
 rhodinol
 rose absolute
 rose butanoate
 spearmint oil
alpha-terpineol
 tetrahydrolinalool
 tobacco dodecane
 tolu balsam
 tonka bean absolute
gamma-undecalactone
 undecanol
10-undecen-1-al
 vanilla absolute
 verymoss
 vetiver oil
 violet leaf absolute
 violet methyl carbonate

(odor and/or flavor) used in :
 acacia
 amber
 ambreine
 amyris
 animal
 armoise
 azalea
 balsam
 bayberry
 beeswax cire d'abeille
 botanical
 bouquet
 broom genet genista
 burberry
 cabreuva
 calamus
 carnation dianthus oeillet
 cassia
 cassia blossom
 cedar forest
 cherry blossom
 cloth clean cloths
 cloudberry bakeapple
 clove blossom
 clover trefle le'trefle incarnat
 coconut
 coronilla
 daffodil narcissus
 dahlia
 daisy
 daphne
 fagonia
 fantasy blends
 fern fougere
 fir balsam
 floral
 flouve
 foliage
 forest
 gardenia
 ginger white ginger
 gooseberry
 grass sweet grass
 habuba
 hawthorn
 hay new mown hay foin coupe
 heather
 herbal
 hibiscus
 hinoki
 hollyberry
 hyacinth jacinthe
 immortelle helichrysum everlasting
 incense
 jasmin
 jonquil narcissus jonquilla
 kewda
 kiwi blossom
 labdanum
 lavender
 leaf autumn leaf
 linden blossom limeflower tilleul
 loganberry dewberry
 lotus
 magnolia
 mango blossom
 meadow
 mint
 moss
 muguet lily of the valley
 mulberry
 musk
 myrrh
 new car
 ocean sea
 orange blossom fleur d'oranger
 orchid
 pansy
 patchouli
 peony
 pine
 poppy
 potpourri
 powder
 rain
 redwood
 rose
 rose moss rose
 rose tea rose
 rose white rose
 sage
 sandalwood
 soapy
 spearmint
 spice
 strawberry
 tobacco tabac tabaco
 toffee
 tonka
 tuberose tubereuse
 vanilla
 vetiver
 violet

natural occurrence in :
not found in nature



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