conifer acetate
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IUPAC name :[2-(2-methylbutan-2-yl)cyclohexyl] acetate
InChI :InChI=1/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3
InChIKey :YEVACTAGDANHRH-UHFFFAOYAO
SMILES :CCC(C)(C)C1CCCCC1OC(=O)C
cas number :67874-72-0
% from :60.00% to 75.00%
(EINECS) number :267-500-0
molar refractivity :62.01 ± 0.4 cm3
parachor :538.8 ± 6.0 cm3
index of refraction :1.452 ± 0.03
surface tension :30.4 ± 5.0 dyne/cm
density :0.92 ± 0.1 g/cm3
polarizability :24.58 ± 0.5 10-24cm3
XlogP : 4.60
XlogP3-AA : 4.10
molecular weight : 212.3284600 (IUPAC)
formula :C13 H24 O2
BioActivity Analysis :83605
NMR Predictor :Predict
 
 
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
% from :6.00% to 27.00%
(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
XlogP3-AA : 3.40
molecular weight : 198.3018800 (IUPAC)
formula :C12 H22 O2
BioActivity Analysis :438072
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
IFF :Coniferan
Odor:  Woody, Herbal, Fruity
Balsamic, sandalwood, woody odor, sweet and rich as in fir balsam absolute. Also has a precious wood and sweet pear character. Ideal for pine compunds.
John D. Walsh :Coniferan
Penta :2-tertiarypentyl cyclohexanyl acetate
Takasago :Cypressan
≥97% min. sum isomers
Odor:  Woody, herbal, fruity, pine.
Used in perfumery for pine fragrances and generally as a modIfier for woody, powdery, and herbaceous-camphoraceous fragrance types.
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		balsam woody sweet fir balsam raspberry jam
Luebke, William tgsc, (1991)
odor sample from :International Flavors & Fragrances Inc.
substantivity :16  Hour(s)
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93900 to 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.813 to 7.880
specific gravity :0.94000 to 0.94800 @ 20.00 °C.
pounds per gallon - calc. : 7.831 to 7.898
refractive index :1.45500 to 1.45900 @ 20.00 °C.
flash point : 201.00  °F.  TCC  ( 93.89 °C. )
logP (o/w) : 4.77
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for conifer acetate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
[2-(2-methylbutan-2-yl)cyclohexyl] acetate
(EINECS) number :267-500-0
chemidplus :067874720
EPA Substance Registry Services :67874-72-0
dtp/nci :21163
 
 
 
(4-tert-butylcyclohexyl) acetate
(EINECS) number :250-954-9
chemidplus :032210234
EPA Substance Registry Services :32210-23-4
dtp/nci :163103
references :
 
[2-(2-methylbutan-2-yl)cyclohexyl] acetate
pubchem :199057
 
(4-tert-butylcyclohexyl) acetate
NIST Chemistry WebBook :1421766050
pubchem :177634
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
ortho-tert-amyl cyclohexanyl acetate
 amyl cyclohexyl acetate (mixed isomers)
 conifer acetate
 coniferan
 cypressan
[2-(2-methylbutan-2-yl)cyclohexyl] acetate
2-tert-prenyl cyclohexanyl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 non-discoloring in most media
 shampoo
 soap
potential blenders :    note
 acetyl butyrylFL/FR
 agarwood oilFR
 allyl 2-furoateFL
alpha-amyl cinnamyl acetateFL/FR
isoamyl isovalerateFL/FR
para-anisyl phenyl acetateFL/FR
 balsam fir oleoresinFL/FR
 benzoin absolute siamFL/FR
 benzoin resinoid siamFL/FR
1-benzoyl acetoneFL/FR
 benzyl acetoneFL/FR
 benzyl propionateFL/FR
laevo-bornyl acetateFL/FR
 bornyl formateFL/FR
isobornyl isobutyrateFL/FR
 butyl benzoateFL/FR
isobutyl cinnamateFL/FR
 campheneFL/FR
 campholene acetateFL/FR
 cananga oilFL/FR
 cananga oil chinaFL/FR
 cardamom seed oilFL/FR
 cinnamyl anthranilateFR
 cinnamyl butyrateFL/FR
 cinnamyl formateFL/FR
 cinnamyl propionateFL/FR
 cistus absoluteFL/FR
 copaiba balsamFL/FR
 cyclohexyl formateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 elemi gumFL/FR
 elemi resinoidFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 fenchyl acetateFL/FR
 fir balsam absoluteFR
 fir carboxylateFR
 fir needle oilFL/FR
 fir needle oil canadaFL/FR
 fir needle oil terpenelessFL/FR
 frankincense absoluteFL/FR
 galangal root oleoresinFL
 galbanum absoluteFL/FR
 galbanum oleoresinFL
 galbanum resinoidFR
 guaiacwood oil 20% in gurjun balsam oilFR
alpha-guaieneFR
 guaiyl butyrateFR
 gurjun balsam oilFR
alpha-gurjuneneCS
 heliotropyl acetateFL/FR
 heliotropyl isobutyrateFL/FR
 hemlock western oilFR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl cinnamate 
4-hydroxybenzaldehydeFL/FR
beta-ionyl acetateFL/FR
 jasmin absoluteFL/FR
 jasmin absolute chassisFL/FR
 jasmin absolute concrete italyFL/FR
 juniper berry absoluteFL/FR
 juniper berry oilFL/FR
 linalyl acetateFL/FR
 longifoleneFL/FR
 maltolFL/FR
 maltyl propionateFL/FR
 methyl hydrogenated rosinateCS
2-methyl-2-pentenoic acidFL/FR
 muhuhu wood oilFR
 myrrh absoluteFL/FR
 myrrh resinoidFR
 myrtenalFL/FR
 neryl propionateFL/FR
 nopyl acetateFR
 nutmeg absoluteFL/FR
2-octen-4-oneFL/FR
 octyl benzoateFR
 patchouli oilFL/FR
 peru balsamFL
3-phenyl propyl isobutyrateFL/FR
 phenyl salicylateFR
(Z)-2-pinanolFR
 pine needle absoluteFL/FR
 pine needle oil dwarfFL/FR
 prenyl benzoateFL/FR
 propyl 2-furan acrylateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 rose absolute moroccoFL/FR
 rose butanoateFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil moroccoFL/FR
(E)-sabinene hydrateFL/FR
 sandalwood oilFL/FR
 sandalwood oil west australiaFR
 santalyl butyrateFL/FR
 spicy acetoacetateFL/FR
 spruce needle absoluteFL/FR
 spruce oilFL/FR
 terpinyl benzoateFR
 terpinyl butyrateFL/FR
 tolu balsam absoluteFL/FR
 tolu balsam resinoidFR
 valerian root oilFL/FR
 valerian root oil chinaFL/FR
 valerian root oil CO2 extract chinaFL/FR
 vetiverolFL/FR
 woody acetateFR
potential uses :
 apple
 balsam
 fir
 oriental
 pine
 raspberry
 woody
natural occurrence in :    note
 not found in nature  

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