2,4-dimethyl-3-cyclohexene-1-methanol
 
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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
(EINECS) number :266-821-3
cas number :67634-17-7
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
molecular weight : 140.2227400
formula :C9 H16 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

Suppliers :
International Flavors & Fragrances :Floralol
≥96% (sum of isomers)

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
fresh floral herbal green natural
substantivity :40  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 to 100.00 %   
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
logp : 2.59

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
recommendation for 2,4-dimethyl-3-cyclohexene-1-methanol usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for 2,4-dimethyl-3-cyclohexene-1-methanol usage levels up to :
 not for flavor use.

safety references :
EPI System :view
 
 
 (2,4-dimethyl-1-cyclohex-3-enyl)methanol
(EINECS) number :266-821-3
chemidplus :067634177
EPA Substance Registry Services :67634-17-7
NLM Chemical Carcinogenesis Research Information System :67634-17-7
NLM Developmental and Reproductive Toxicity :67634-17-7
NLM Env. Mutagen Info. Center :67634-17-7
NLM GENetic TOXicology :67634-17-7

references :
 (2,4-dimethyl-1-cyclohex-3-enyl)methanol
pubchem :683969

other :
synonyms :
2,4-dimethyl cyclohex-3-ene-1-methanol
2,4-dimethyl-3-cyclohexene-1-methanol
 floralol
 trivertanol

soluble in :
 alcohol

insoluble in :
 water

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergnet
 fabric softener
 hard surface cleaner
 shampoo
 soap

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
isoamyl 3-(2-furan) propionate
 amyl benzoate
alpha-amyl cinnamyl formate
 amyl isoeugenol
 amyl salicylate
isoamyl salicylate
 anisyl propanal / methyl anthranilate schiff's base
 basil absolute sweet
 benzyl methyl ether
beta-bisabolol
isobutyl angelate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
isobutyl heptanoate
isobutyl methyl ketone
isobutyl quinoline
2-sec-butyl thiazole
4-butyl thiazole
 butyl tiglate
alpha-campholenic aldehyde
 cardamom absolute
 carnation absolute
 carrot seed oil spain
 chamomile isobutyrate
 chamomile oil
 chrysanthemum ketone
 chrysanthemum oxide
 cinnamyl acetate
(E)-cinnamyl acetate
 cinnamyl formate
 citral dimethyl acetal
 citronellyl acetate
 citronellyl propionate
 clary sage absolute
 coriander seed absolute
 coriander seed oil
(-)-cubenol
 cumin carbinol
 cuminaldehyde
 cuminyl acetaldehyde
isocyclogeraniol
2-decalinyl acetate
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
8,9-dehydrotheaspirone
 dihydrorose oxide
 dill weed oil
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl benzyl carbinyl formate
 dimethyl salicylate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 ethyl 2-benzyl butyrate
 ethyl 4-pentenoate
 ethyl linalool
 ethyl linalyl acetal
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
isoeugenyl ethyl acetal
 farnesyl acetate
 floral butanal
 gardenia absolute
 geranium oil
 geranium oil africa
 geranium oil egypt
 geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
 heliotropyl diethyl acetal
 heptanal
 heptanol
2-heptanol
 heptyl formate
 herbal cyclohexane
 herbal dioxane
 herbal heptane
 herbal pyran
(E,E)-2,4-hexadien-1-ol
(E)-4-hexen-1-ol
(Z)-4-hexen-1-ol
3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl salicylate
alpha-hexyl cinnamaldehyde
 hexyl hexanoate
 hop absolute
 hop oil
 hyacinth absolute
 hydroxycitronellal diethyl acetal
beta-ionol
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 ivy leaf absolute
 jasmin cyclopentanol
(Z)-jasmone
 jonquil absolute
 karo karounde absolute
 lavandin oil
 lavender absolute
 lavender oil france
 lavender oil greece
 linalyl formate
 linalyl octanoate
 marigold oil mexico
 marigold pot absolute
 marine hexane
 methyl 2-undecynoate
4-methyl biphenyl
 methyl cyclocitrone
 methyl cyclogeranate
para-methyl hydratropaldehyde
 methyl octine carbonate
(E)-6-methyl-3-hepten-2-one
4-methyl-4-phenyl pentanone
 mimosa absolute
 mistletoe absolute
 muguet undecadienal
 myrtle oil
 neroli oil
 nerolidol
 neryl formate
 nonisyl formate
 ocean propanal / methyl anthranilate schiff's base
(Z)-beta-ocimene
 octanal dimethyl acetal
(E)-2-octen-1-al
3-octen-1-yl acetate
 octyl oxyacetaldehyde
 orange leaf absolute
 papaya isobutyrate
 peach pivalate
2-pentyl cyclopentanone
 perillaldehyde
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
2-phenyl propionaldehyde ethylene glycol acetal
isophytol
 prenyl salicylate
2-propyl thiazole
isopulegol
 reseda absolute
 rose butanoate
 rose oil
 rose pyran
 seaweed absolute
 styralyl formate
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 terpinyl isobutyrate
 theaspirane
alpha-thujene
 timber dioxolane
 treemoss absolute
 tricyclodecenyl acetate
 tricyclodecyl acetate
 tropical indene
 tuberose absolute
 tuberose absolute concrete
 viridiflorol
 ylang ylang absolute

(odor and/or flavor) used in :
 floral
 fresh
 green
 herbal
 hyacinth jacinthe
 muguet lily of the valley
 natural
 spice

natural occurrence in :
not found in nature



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Html Last modified 11/29/2008