2,4-dimethyl-3-cyclohexene-1-methanol
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IUPAC name :(3,5-dimethylcyclohex-3-en-1-yl)methanol
InChI :InChI=1/C9H16O/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9-10H,4-6H2,1-2H3
InChIKey :GSDQPHZCCNYHEF-UHFFFAOYAI
SMILES :CC1CC(CC(=C1)C)CO
cas number :67634-16-6
(EINECS) number :266-820-8
molar refractivity :42.91 ± 0.3 cm3
parachor :357.7 ± 6.0 cm3
index of refraction :1.461 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.897 ± 0.06 g/cm3
polarizability :17.01 ± 0.5 10-24cm3
XlogP : 2.00
XlogP3-AA : 1.60
molecular weight : 140.2227400 (IUPAC)
formula :C9 H16 O
NMR Predictor :Predict
 
 
IUPAC name :(2,4-dimethyl-1-cyclohex-3-enyl)methanol
InChI :InChI=1/C9H16O/c1-7-3-4-9(6-10)8(2)5-7/h5,8-10H,3-4,6H2,1-2H3
InChIKey :XGRCZWYTJSFHET-UHFFFAOYAV
SMILES :CC1C=C(CCC1CO)C
cas number :67634-17-7
(EINECS) number :266-821-3
molar refractivity :42.91 ± 0.3 cm3
parachor :357.7 ± 6.0 cm3
index of refraction :1.461 ± 0.02
surface tension :27.4 ± 3.0 dyne/cm
density :0.897 ± 0.06 g/cm3
polarizability :17.01 ± 0.5 10-24cm3
XlogP : 2.00
XlogP3-AA : 1.60
molecular weight : 140.2227400 (IUPAC)
formula :C9 H16 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
IFF :Floralol
≥96% (sum of isomers)
Odor:  Floral, Green, Spicy
Fresh, green, floral reminiscent of hyacinth, muguet and mimosa.
Penta :2,4-dimethyl-3-cyclohexene-1-methanol
organoleptics :
odor type :floral
odor strength :medium
odor description¹ :
at 100.00 %.  		fresh floral herbal green petal gardenia minty
odor sample from :International Flavors & Fragrances Inc.
substantivity :40  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93800 to 0.94600 @ 25.00 °C.
pounds per gallon - calc. : 7.805 to 7.872
specific gravity :0.93900 to 0.94700 @ 20.00 °C.
pounds per gallon - calc. : 7.823 to 7.889
refractive index :1.48200 to 1.48700 @ 20.00 °C.
boiling point : 195.00 to 196.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 2.59
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for 2,4-dimethyl-3-cyclohexene-1-methanol fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for 2,4-dimethyl-3-cyclohexene-1-methanol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
(3,5-dimethylcyclohex-3-en-1-yl)methanol
(EINECS) number :266-820-8
chemidplus :067634166
EPA Substance Registry Services :67634-16-6
 
 
 
(2,4-dimethyl-1-cyclohex-3-enyl)methanol
(EINECS) number :266-821-3
chemidplus :067634177
EPA Substance Registry Services :67634-17-7
references :
 
(3,5-dimethylcyclohex-3-en-1-yl)methanol
pubchem :683968
 
(2,4-dimethyl-1-cyclohex-3-enyl)methanol
pubchem :683969
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
synonyms :
2,4-dimethyl cyclohex-3-ene-1-methanol
(2,4-dimethyl-1-cyclohex-3-enyl)methanol
 floralol
 trivertanol
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergnet
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 amyl benzoateFL/FR
alpha-amyl cinnamyl formateFL/FR
 amyl isoeugenolFR
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 basil absolute sweetFL/FR
 benzyl methyl etherFL/FR
beta-bisabololFL/FR
isobutyl angelateFL/FR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
isobutyl quinolineFR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
 butyl tiglateFL/FR
alpha-campholenic aldehydeFL/FR
 cardamom absoluteFL/FR
 carnation absoluteFR
 carrot seed oil spainFR
 chamomile isobutyrateFR
 chamomile oilFL/FR
 chrysanthemum ketoneFR
 chrysanthemum oxideFL/FR
 cinnamyl acetateFL/FR
(E)-cinnamyl acetateFL/FR
 cinnamyl formateFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 clary sage absoluteFL/FR
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
(-)-cubenol 
 cumin carbinolFR
 cuminaldehydeFL/FR
 cuminyl acetaldehydeFL/FR
isocyclogeraniolFR
2-decalinyl acetateFR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
8,9-dehydrotheaspironeFL
 dihydrorose oxideFR
 dill weed oilFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 dimethyl salicylateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 ethyl 2-benzyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
isoeugenyl ethyl acetalFR
 farnesyl acetateFL/FR
 floral butanalFR
 gardenia absoluteFR
 geranium oilFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
 heliotropyl diethyl acetalFR
 heptanalFL/FR
 heptanolFL/FR
2-heptanolFL/FR
 heptyl formateFL/FR
 herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 herbal pyranFR
(E,E)-2,4-hexadien-1-ol 
(E)-4-hexen-1-olFL
(Z)-4-hexen-1-olFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl hexanoateFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 hyacinth absoluteFL/FR
 hydroxycitronellal diethyl acetalFL/FR
beta-ionolFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 ivy leaf absoluteFR
 jasmin cyclopentanolFR
(Z)-jasmoneFL/FR
 jonquil absoluteFR
 karo karounde absoluteFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexico 
 marigold pot absoluteFL/FR
 marine hexaneFR
 methyl 2-undecynoateFL
4-methyl biphenylFL
 methyl cyclocitroneFR
 methyl cyclogeranateFR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absoluteFL/FR
 mistletoe absolute 
 muguet undecadienalFR
 myrtle oilFL/FR
 neroli oilFL/FR
 nerolidolFL/FR
 neryl formateFL/FR
 nonisyl formateFR
 ocean propanal / methyl anthranilate schiff's baseFR
(Z)-beta-ocimeneFL/FR
 octanal dimethyl acetalFL/FR
(E)-2-octen-1-alFL/FR
3-octen-1-yl acetateFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 papaya isobutyrateFL/FR
 peach pivalateFR
2-pentyl cyclopentanoneFR
 perillaldehydeFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
isophytolFL/FR
 prenyl salicylateFL/FR
2-propyl thiazoleFL
isopulegolFL/FR
 reseda absoluteFR
 rose butanoateFL/FR
 rose oilFL/FR
 rose pyranFR
 seaweed absoluteFL/FR
 styralyl formateFL/FR
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 terpinyl isobutyrateFL/FR
 theaspiraneFL/FR
alpha-thujene 
 timber dioxolaneFR
 treemoss absoluteFR
 tricyclodecenyl acetateFR
 tricyclodecyl acetateFR
 tropical indeneFR
 tuberose absoluteFL/FR
 tuberose absolute concreteFL/FR
 viridiflorolFL/FR
 ylang ylang absoluteFL/FR
potential uses :
 floral
 fresh
 green
 herbal
 hyacinth jacinthe
 muguet lily of the valley
 natural
 spice
natural occurrence in :    note
 not found in nature  

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