patchouli hexanol
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Notes :
Patchouli replacer.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :4-tert-butylcyclohexan-1-ol
InChI :InChI=1/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
InChIKey :CCOQPGVQAWPUPE-UHFFFAOYAN
SMILES :CC(C)(C)C1CCC(CC1)O
cas number :98-52-2
(EINECS) number :202-676-4
beilstein number :1902277
molar refractivity :47.45 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.471 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :18.81 ± 0.5 10-24cm3
XlogP : 3.50
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
BioActivity Analysis :474428
NMR Predictor :Predict
 
 
export tariff code :2906.19.0020
fda reg :unspecified

Suppliers :
John D. Walsh :Patchone
Moellhausen :patchone - PTBCH
97% min. artifical kosher
Penta :patchone
Vigon :Butyl Cyclohexanol para
Odor:  EXTREMELY DRY, WOODY-CAMPHORACEOUS

organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  
woody musty patchouli camphor mint leather
odor sample from :Fragrance Resources Inc.

properties :
appearence :white solid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 65.00 to 70.00 °C. @ 760.00 mm Hg
boiling point : 110.00 to 115.00 °C. @ 15.00 mm Hg
flash point : 221.00  °F.  TCC  ( 105.00 °C. )
logP (o/w) : 3.06
shelf life : 36.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

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) :
  Oral-Rat    4200.00  mg/kg

Intraperitoneal-Mouse    50.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5.00  gm/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for patchouli hexanol usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for patchouli hexanol usage levels up to :
 not for flavor use.

safety references :
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 4-tert-butylcyclohexan-1-ol
(EINECS) number :202-676-4
RTECS :GV8750000 for 98-52-2
chemidplus :000098522
EPA Substance Registry Services :98-52-2
dtp/nci :404197

references :
 4-tert-butylcyclohexan-1-ol
NIST Chemistry WebBook :2216160249
pubchem :150455

Cosmetics :
Cosmetic uses : masking agents
perfuming agents

other :
reference : Luebke, William tgsc, (1993)¹
CosIng :cosmetic data
 C of A
synonyms :
4-tert-butyl cyclohexanol
para-tert-butyl cyclohexanol
4-tert-butylcyclohexan-1-ol
4-(1,1-dimethyl ethyl) cyclohexanol
 padaryl
 patchone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 borneol
laevo-borneol
isobornyl methyl ether
isobornyl propionate
 buchu leaf oil
2-tert-butyl cyclohexanone
para-tert-butyl cyclohexanone
 carvacrol
 cassia oleoresin
 cedarleaf oil terpeneless
alpha-cedrene epoxide
 herbal dioxane
 herbal norbornane
 hinoki root oil
 lavandin concrete
para-menth-3-en-1-ol
 methyl cyclogeranate
 methyl delta-ionone
 myrrh absolute
 ocimene quintoxide
 origanum oil
 origanum oil turkey
 patchouli ethanol
 patchouli indene
 patchouli oil china
 peppermint cyclohexanone
ketoisophorone
 pinacol
 pine hexanol
 pinocarveol
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 sassafras oil
 woody dodecane
 woody epoxide
 woody ether

(odor and/or flavor) used in :
 amber
 ambergris
 ambreine
 amyris
 angelica
 ash mountain ash
 balsam
 bark
 bayberry
 beech wood tar
 benzoin
 bergamot
 birch tar
 bois de rose rosewood
 boronia
 boxwood
 buchu
 cabreuva
 cade
 calamus
 camphor
 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
 herbal
 hinoki
 hyssop
 iris blossom
 juniper
 juniperberry
 labdanum
 mace
 maja
 mimosa wattle
 mint
 oakwood
 olibanum frankincense
 opoponax
 orange bitter orange
 oregano
 oriental
 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 :
not found in nature



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