geranium cyclohexane

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IUPAC name :

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

InChI :

InChI=1/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

InChIKey :

LMXFTMYMHGYJEI-UHFFFAOYAL

SMILES :

CC1CCC(C(C1)O)C(C)(C)O

cas number :	42822-86-6
(EINECS) number :	255-953-7
fema number :	4053
jecfa number :	1416
molar refractivity :	49.06 ± 0.3 cm3
parachor :	425.1 ± 6.0 cm3
index of refraction :	1.486 ± 0.02
surface tension :	38.5 ± 3.0 dyne/cm
density :	1.009 ± 0.06 g/cm3
polarizability :	19.45 ± 0.5 10-24cm3
XlogP :	2.30
molecular weight :	172.2646000
formula :	C10 H20 O2
NMR Predictor :	Predict

IUPAC name :

(1)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol

InChI :

InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1

InChIKey :

ZYTMANIQRDEHIO-KXUCPTDWBO

SMILES :

C[C@@H]1CC[C@H]([C@@H](C1)O)C(=C)C

cas number :	50373-36-9
(EINECS) number :	256-557-7
molar refractivity :	47.34 ± 0.3 cm3
parachor :	397.2 ± 6.0 cm3
index of refraction :	1.472 ± 0.02
surface tension :	30.5 ± 3.0 dyne/cm
density :	0.912 ± 0.06 g/cm3
polarizability :	18.76± 0.5 10-24cm3
XlogP :	2.40
molecular weight :	154.2493200
formula :	C10 H18 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Givaudan :

Geranodyle
Odor: Geranium, Rosy, Fruity

organoleptics :

odor type :

herbal

odor strength :

medium

odor description :
at 100.00 %.

geranium rose fruity

substantivity :

20 Hour(s)

properties :

appearence :

yellow to orange clear liquid

assay :

80.00 to 100.00 %

Food Chemicals Codex Listed :

flash point :

75.00 °F. TCC ( 23.89 °C. )

logP (o/w) :

2.40

safety :

most important hazard(s) :

Xi - Irritant

R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
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) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for geranium cyclohexane usage levels up to :

5.0000 % in the fragrance concentrate.

recommendation for geranium cyclohexane usage levels up to :

150.0000 ppm in the flavor.

safety references :

EPI System :

view

WGK Germany :

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

(EINECS) number :

255-953-7

chemidplus :

042822866

EPA Substance Registry Services :

42822-86-6

(1)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol

(EINECS) number :

256-557-7

chemidplus :

050373369

EPA Substance Registry Services :

50373-36-9

references :

2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

jecfa number :

1416

NIST Chemistry WebBook :

42822866

pubchem :

3741866

(1)-(1alpha,2beta,5alpha)-5-methyl-2-(1-methylvinyl)cyclohexan-1-ol

pubchem :

748355

Cosmetics :

Cosmetic uses :

hair conditioning
oral care agents
skin conditioning

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	geranodyle
1-	hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methyl cyclohexane
2-	hydroxy-alpha,alpha,4-trimethyl cyclohexane methanol
2-(2-	hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
(±)-(1alpha,2beta,5alpha)-5-	methyl-2-(1-methyl vinyl) cyclohexan-1-ol
	reaction mixture containing 1-hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methyl cyclohexane
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	allyl isononylate
	benzyl isobutyrate
	butyl angelate
	cassis buteneone
	citronellal diisotridecyl acetal
laevo-	citronellol
	citronellyl acetate
laevo-	citronellyl acetate
	citronellyl anthranilate
	citronellyl hexanoate
(E)-	citronellyl tiglate
beta-	damascenone
delta-	damascone
	dibutyl sulfide
	dihydrorose oxide
	dimethyl benzyl carbinyl acetate
	dimethyl octanyl acetate
	ethyl linalyl acetate
	ethyl nonanoate
	ethyl ortho-anisate
(E)-	ethyl tiglate
	floral pyran
	geraniol
	geranium nitrile
	geranium oil egypt
	geranyl butyrate
	geranyl hexanoate
	geranyl isobutyrate
	geranyl octanoate
	geranyl propionate
	geranyl tiglate
	geranyl valerate
	hexyl phenyl acetate
	linalyl formate
	musk acetate
	octyl formate
	phenethyl isobutyrate
	phenethyl isovalerate
	phenethyl propionate
	phenethyl valerate
	rhodinyl butyrate
	rhodinyl propionate
	santalyl butyrate
(odor and/or flavor) used in :
	berry
	cherry
	floral
	fruit
	geranium
	hair conditioning
	herbal
	melon
	mint
	oral care agents
	rose
	skin conditioning
	tea
natural occurrence in :
	found in nature

information only - not sold by The Good Scents Company.

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