woody acetate
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Notes :
Enrichens the quality of fragrances.
 
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IUPAC name :(4-tert-butylcyclohexyl) acetate
InChI :InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey :MBZRJSQZCBXRGK-UHFFFAOYAF
SMILES :CC(=O)OC1CCC(CC1)C(C)(C)C
cas number :32210-23-4
(EINECS) number :250-954-9
molar refractivity :57.38 ± 0.4 cm3
parachor :498.8 ± 6.0 cm3
index of refraction :1.450 ± 0.03
surface tension :30.0 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :22.74 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
BioActivity Analysis :438072
NMR Predictor :Predict
 
 
IUPAC name :((E)-4-tert-butylcyclohexyl) acetate
InChI :InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+
InChIKey :MBZRJSQZCBXRGK-PHIMTYICBT
SMILES :O=C(C)O[C@H]1CC[C@H](CC1)C(C)(C)C
cas number :10411-92-4
(EINECS) number :233-881-7
molar refractivity :57.38 ± 0.4 cm3
parachor :498.8 ± 6.0 cm3
index of refraction :1.450 ± 0.03
surface tension :30.0 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :22.74 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
NMR Predictor :Predict
 
 
IUPAC name :((Z)-4-tert-butylcyclohexyl) acetate
InChI :InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-
InChIKey :MBZRJSQZCBXRGK-XYPYZODXBP
SMILES :O=C(C)O[C@@H]1CC[C@H](CC1)C(C)(C)C
cas number :1900-69-2
(EINECS) number :217-598-6
molar refractivity :57.38 ± 0.4 cm3
parachor :498.8 ± 6.0 cm3
index of refraction :1.450 ± 0.03
surface tension :30.0 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :22.74 ± 0.5 10-24cm3
XlogP : 4.30
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2916.35.1500
fda reg :unspecified
Suppliers :
Aceto :para Tertiary-Butyl Cyclohexyl Acetate
Berje :P.T.B.C.H.A.
Firmenich :Lorysia®
≥98%
Odor:  A sophisticated and complex odor with a floral, woody-orris character
LORYSIA® is a versatile, stable and substantive ingredient that can be used in a wide variety of fragrances.
Fleurchem :p-tertiary-butyl cyclohexyl acetate (rodonex)
IFF :Vertenex® HC
≥66% (cis isomer)
Odor:  Woody, Floral, Balsamic
A powerful, general purpose, fine quality woody aroma that has a higher concentration of the valuable cis isomer than does VERTENEX.
IFF :Vertenex®
98% (sum of isomers)
Odor:  Woody, Floral, Fruity
Sweet, rich and woody. This material blends well with Ionones and enriches the odor quality of fragrances for functional products. Economical.
John D. Walsh :Vertenex (PTBCHA)
John D. Walsh :Vertenex H.C.
Moellhausen :PTBCHA
98% min. artifical kosher
Odor:  SWEET, ALMOST "CREAMY" - WOODY ODOR WITH SOFT FLORAL UNDERTONES.
Penta :p-t-butylcyclohexyl acetate
Polarome :para-tert-BUTYL CYCLOHEXYL ACETATE
SAFC Global® :4-tert-Butylcyclohexyl acetate
≥98%
Odor:  creamy; woody; sweet
Vigon :Butyl Cyclohexyl Acetate para Vertenex
Odor:  A sophisticated and complex odor with a floral, woody-orris character
organoleptics :
odor type :woody
odor strength :medium
odor description:
at 100.00 %.  		woody cedar floral oily herbal balsam green fruity
Luebke, William tgsc, (1988)
odor sample from :International Flavors & Fragrances Inc.
substantivity :8 hour(s) at 100.00 %
properties :
appearence :colorless clear oily liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93400 to 0.93900 @ 25.00 °C.
pounds per gallon - calc. : 7.772 to 7.813
specific gravity :0.93300 to 0.93700 @ 20.00 °C.
pounds per gallon - calc. : 7.773 to 7.806
refractive index :1.45000 to 1.45400 @ 20.00 °C.
boiling point : 228.00 to 230.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 206.00  °F.  TCC  ( 96.67 °C. )
logP (o/w) : 3.96
shelf life : 24.00 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 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 657, 1978.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 16, Pg. 657, 1978.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for woody acetate fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
recommendation for woody acetate flavor 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 :2
 
 
 
 
(4-tert-butylcyclohexyl) acetate
(EINECS) number :250-954-9
RTECS :AF7117000 for cas# 32210-23-4
chemidplus :032210234
EPA Substance Registry Services :32210-23-4
dtp/nci :163103
 
 
 
((E)-4-tert-butylcyclohexyl) acetate
(EINECS) number :233-881-7
chemidplus :010411924
EPA Substance Registry Services :10411-92-4
 
 
 
((Z)-4-tert-butylcyclohexyl) acetate
(EINECS) number :217-598-6
chemidplus :001900692
EPA Substance Registry Services :1900-69-2
references :
 
(4-tert-butylcyclohexyl) acetate
NIST Chemistry WebBook :1421766050
pubchem :177634
 
((E)-4-tert-butylcyclohexyl) acetate
NIST Chemistry WebBook :10411924
pubchem :659529
 
((Z)-4-tert-butylcyclohexyl) acetate
NIST Chemistry WebBook :1900692
pubchem :216928
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
 C of A
RIFM :listed
FMA :listed
synonyms :
 acetic acid (4-tert-butyl cyclohexyl) ester
4-tert-butyl cyclohexanol acetate
4-tert-butyl cyclohexyl acetate
para-tert-butyl cyclohexyl acetate
4-tert-butyl hexahydrophenyl acetate
(4-tert-butylcyclohexyl) acetate
4-(1,1-dimethyl ethyl) cyclohexyl ethanoate
 lorysia
 oryclon
4-tert-pentyl cyclohexanyl acetate
 rodonex
 vertenex
 woody acetate
soluble in :
 ethyl alcohol, 4 vol. of 70% alcohol
 kerosene
 paraffin oil
 water, very slightly
insoluble in :
 water
stability :
 antiperspirant
 bleach
 deo stick
 deodorant
 detergent perborate
 fabric softener
 liquid detergent
 non-discoloring
 scouring powder
 shampoo
 soap
 very stable
potential blenders :    note
 acetaldehyde ethyl phenethyl acetalFL/FR
 amber carbinolFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
 anise seed oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 benzoin resinoidFL/FR
 benzophenoneFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
isobutyl salicylateFL/FR
 camphor oilFL/FR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 cistus oilFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
para-cresyl caprylateFL/FR
 cyclamen aldehydeFL/FR
 decanalFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 dihydromyrcenolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl hydroquinoneFL/FR
 diphenyl oxideFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fennel seed oilFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 geraniolFL/FR
 ginger root oilFL/FR
 green acetateFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
 labdanum resinoidFR
 lavender absoluteFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
2-methyl undecanalFL/FR
 muguet carboxaldehydeFR
 musks 
 nerolFL/FR
 nerolidolFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 pepper oil blackFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 rhodinolFL/FR
 rose oxides 
 santallFR
 spruce oilFL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tobacco dodecaneFR
 tonka bean absoluteFR
 undecanolFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
potential uses :
 acorn
 agrumen
 alpine bouquet
 amaryllis
 amber
 amour-amour
 animal
 armoise
 ash mountain ash
 ash mountain ash blossom
 azalea
 balsam
 bark
 bayberry
 bouquet
 cabreuva
 calamus
 cascarilla
 cassie acacia farnesiana
 castoreum
 cedar
 cedar forest
 cedarleaf
 cedarwood
 celery
 chestnut blossom
 christmas blends
 chypre
 citronella
 clary sage
 clean
 clover trefle le'trefle incarnat
 coconut
 coronilla
 cyclamen
 cypress
 dahlia
 daisy
 daphne
 fantasy blends
 fern fougere
 fig
 fir balsam
 floral
 florida breeze
 flouve blossom
 foliage
 forest
 forest pine forest
 fresh
 fruit
 galanga
 galbanum
 ginger
 gingergrass
 grapefruit
 grass sweet grass
 guaiacwood
 hay new mown hay foin coupe
 heather
 herbal
 hinoki
 hollyberry
 hugonia
 hyssop
 immortelle helichrysum everlasting
 incense
 iris blossom
 ivy leaf
 jasmin
 labdanum
 lavender
 leather
 liverwort
 maja
 mastic
 meadow
 mimosa wattle
 mint
 moss
 musk
 oakwood
 orange bitter orange
 oregano
 oriental
 orris iris
 osmanthus
 patchouli
 petunia
 pine
 pinon cone
 potpourri
 privet blossom
 rose
 rose d'orient
 rose dog rose
 rose moss rose
 sage
 sandalwood
 sassafras
 spicewood
 spruce
 timber
 valerian
 vetiver
 weedy
 woodruff asperula
 woody
 wormwood absinthium
natural occurrence in :    note
 not found in nature  


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