cyclohexyl ethyl alcohol
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IUPAC name :2-cyclohexylethanol
InChI :InChI=1/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKey :QJQZRLXDLORINA-UHFFFAOYAK
SMILES :C1CCC(CC1)CCO
cas number :4442-79-9
(EINECS) number :224-672-1
beilstein number :1848152
fl. number :02.134
molar refractivity :38.53 ± 0.3 cm3
parachor :341.0 ± 4.0 cm3
index of refraction :1.456 ± 0.02
surface tension :33.7 ± 3.0 dyne/cm
density :0.905 ± 0.06 g/cm3
polarizability :15.27 ± 0.5 10-24cm3
XlogP : 2.70
molecular weight : 128.2120400 (IUPAC)
formula :C8 H16 O
pherobase :view
NMR Predictor :Predict
 
 
export tariff code :2918.90.0000
fda reg :unspecified
Suppliers :
IFF :Cyclohexyl Ethyl Alcohol
≥98% (main peak)
Odor:  Floral, Green, Muguet
A clean, ''icy'', floral note in the lilac/lily family that has a dewy freshness and a ''cold'' quality. Green, earthy, minty.
Penta :cyclohexyl ethyl alcohol
organoleptics :
odor type :floral
odor strength :medium
odor description¹ :
at 100.00 %.  		floral waxy cool lily dewy rose
odor sample from :International Flavors & Fragrances Inc.
substantivity :24  Hour(s)
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91700 to 0.92500 @ 25.00 °C.
pounds per gallon - calc. : 7.630 to 7.697
specific gravity :0.91800 to 0.92600 @ 20.00 °C.
pounds per gallon - calc. : 7.648 to 7.714
refractive index :1.46300 to 1.46900 @ 20.00 °C.
boiling point : 205.00 to 208.00 °C. @ 760.00 mm Hg
boiling point : 206.00 to 207.00 °C. @ 745.00 mm Hg
flash point : 187.00  °F.  TCC  ( 86.11 °C. )
logP (o/w) : 2.40
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 36/37/38 - Irritating to eyes, respiratory system, and skin.
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.
Oral Toxicity(LD50) :
  Oral-Rat    940.00  mg/kg
(Wohl, 1974h)

Dermal Toxicity(LD50) :
  Skin-Rabbit  1220.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.011 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for cyclohexyl ethyl alcohol fragrance usage levels up to :
  50.0000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-cyclohexylethanol
(EINECS) number :224-672-1
RTECS :KK3528000 for cas# 4442-79-9
chemidplus :004442799
EPA Substance Registry Services :4442-79-9
dtp/nci :30157
references :
 
2-cyclohexylethanol
fl. number :02.134
NIST Chemistry WebBook :832545293
pubchem :163333
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
synonyms :
 cyclohexanethanol
2-cyclohexyl ethan-1-ol
 cyclohexyl ethanol
2-cyclohexyl ethanol
2-cyclohexylethanol
soluble in :
 alcohol
 dipropylene glycol
 water, 1750 mg/L @ 25C
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
potential blenders :
 acetaldehyde ethyl phenethyl acetalFL/FR
 acetophenoneFL/FR
2-acetyl furanFL/FR
 algae absoluteFR
 allyl amyl glycolateFR
 amber carbinolFR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFR
 angelica root oilFL/FR
para-anisaldehydeFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobutyl cinnamateFL/FR
isobutyl salicylateFL/FR
 cardamom seed oilFL/FR
 carrot seed oilFL/FR
 cedarwood oils 
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cortex pyridineFL/FR
 costus root oilFL
para-cresyl caprylateFL/FR
para-cresyl phenyl acetateFL/FR
 cuminaldehydeFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
gamma-decalactoneFL/FR
 decanalFL/FR
 decanolFL/FR
9-decen-1-alFL/FR
9-decen-1-olFL/FR
 dihydrojasmoneFL/FR
 dihydromyrcenolFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl cinnamateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFL/FR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oilFL/FR
 geranyl acetateFL/FR
 grapefruit pentanolFR
 green acetateFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 ionones 
2,4-ivy carbaldehydeFL/FR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 marine pyridineFR
 melon nonenoateFL/FR
 methyl anthranilateFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptine carbonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 methyl phenyl acetateFL/FR
2-methyl undecanalFL/FR
 methyl undecylenateFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 musks 
beta-naphthyl ethyl etherFL/FR
 narcissus absoluteFR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
(E,Z)-2,6-nonadien-1-alFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
(Z)-5-octen-1-olFL/FR
 orange oilFL/FR
 orris pyridineFL/FR
 patchouli ethanoneFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 rose oxides 
 santallFR
 spruce oilFL/FR
 strawberry glycidate 1FL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tonka bean absoluteFR
 tuberose absoluteFL/FR
gamma-undecalactoneFL/FR
10-undecen-1-alFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 ylang ylang oilFL/FR
potential uses :
 agrumen
 aldehydic
 almond blossom
 apple blossom
 apple crabapple
 apple green apple
 balsam
 bark
 bayberry
 blossom tropical blossom
 bouquet
 boxwood
 briar sweet briar eglantine
 broom genet genista
 calamus
 cassie acacia farnesiana
 cassis black currant bud
 cedar forest
 celery
 cherry blossom
 cherry wild cherry
 chervil
 chocolate
 christmas blends
 chrysanthemum chrysantheme
 chypre
 cilantro
 clean
 clematis
 cloudberry bakeapple
 clover trefle le'trefle incarnat
 coconut tropical coconut
 cognac
 colonia
 cool
 cortex
 costus
 crabapple blossom
 cyclamen
 daffodil narcissus
 dewy
 dillenia
 elder blossom
 evergreen
 fantasy blends
 fern fougere
 fig
 fir balsam
 fir needle
 floral
 foliage
 freesia
 fresh
 ginger white ginger
 gooseberry
 guava
 hay new mown hay foin coupe
 herbal
 hibiscus
 hollyberry
 honeysuckle chevrefeuille
 hyacinth jacinthe
 hydrangea
 iris blossom
 ivy leaf
 jackfruit
 kewda
 kiwi
 kiwi blossom
 lavender
 lilac lilas syringa
 lily
 linden blossom limeflower tilleul
 lotus
 magnolia
 mango blossom
 meadow
 millefleurs
 mimosa wattle
 moss
 muguet lily of the valley
 mulberry
 musk
 narcissus narcisse
 new car
 nut
 ocean sea
 orchid
 osmanthus
 pansy
 parsley
 parsnip
 passion blossom
 passion fruit
 peach blossom
 pear blossom
 pear prickly pear
 peony
 petal waxy petal
 petunia
 plum blossom
 pomegranate
 poppy
 powder
 privet
 privet blossom
 rain
 reseda mignonette
 rhubarb
 rose
 rose tea rose
 rose white rose
 rose wild rose
 spearmint
 stock evening scented stock
 sweet pea pois de senteur
 tea
 tobacco tabac tabaco
 tropical
 tulip
 verbena verveine
 violet
 waxy
 weedy
 wet
 wet fields
 wintergreen
 yew
natural occurrence in :
 sauromatum guttatum S


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