cumin carbinol 20834-59-7

cumin carbinol

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IUPAC name :

2-methyl-1-(4-methylphenyl)propan-2-ol

InChI :

InChI=1/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3

InChIKey :

LABNAHQUILHURR-UHFFFAOYAT

SMILES :

CC1=CC=C(C=C1)CC(C)(C)O

cas number :	20834-59-7
(EINECS) number :	244-072-3
molar refractivity :	51.39 ± 0.3 cm3
parachor :	412.9 ± 4.0 cm3
index of refraction :	1.519 ± 0.02
surface tension :	35.5 ± 3.0 dyne/cm
density :	0.971 ± 0.06 g/cm3
polarizability :	20.37 ± 0.5 10-24cm3
XlogP :	2.70
molecular weight :	164.2441400
formula :	C11 H16 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

para-methyl dimethyl benzyl carbinol

organoleptics :

odor type :

floral

odor strength :

medium

odor description :¹
at 100.00 %.

floral green cumin muguet

odor sample from :

International Flavors & Fragrances Inc.

properties :

appearence :

pale yellow clear liquid

assay :

97.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.95400 to 0.96200 @ 25.00 °C.

pounds per gallon - calc. :

7.938 to 8.005

specific gravity :

0.95500 to 0.96300 @ 20.00 °C.

pounds per gallon - calc. :

7.956 to 8.022

refractive index :

1.51000 to 1.51600 @ 20.00 °C.

boiling point :

240.00 to 241.00 °C. @ 760.00 mm Hg

flash point :

> 212.00 °F. TCC ( > 100.00 °C. )

logP (o/w) :

2.52

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for cumin carbinol usage levels up to :

10.0000 % in the fragrance concentrate.

recommendation for cumin carbinol usage levels up to :

not for flavor use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

2-methyl-1-(4-methylphenyl)propan-2-ol

(EINECS) number :

244-072-3

chemidplus :

020834597

EPA Substance Registry Services :

20834-59-7

references :

2-methyl-1-(4-methylphenyl)propan-2-ol

pubchem :

665513

Cosmetics :

Cosmetic uses :

perfuming agents

other :

reference :

Luebke, William tgsc, (1989)¹

CosIng :

cosmetic data

synonyms :
para-	methyl benzyl dimethyl carbinol
para-	methyl dimethyl benzyl carbinol
2-	methyl-1-(4-methylphenyl)propan-2-ol
alpha,alpha-4-	trimethyl benzene ethanol
alpha,alpha,4-	trimethyl phenethyl alcohol
alpha,alpha,4-	trimethyl phenyl ethyl alcohol
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	amyl benzoate
alpha-	amyl cinnamaldehyde dimethyl acetal
	benzyl anthranilate
	bois de rose oil
alpha-	butyl cinnamaldehyde
	carrot seed oil
	celery ketone
	celery undecene
	cinnamyl formate
(E)-	cinnamyl nitrile
	citronellyl acetate
	citronellyl ethoxalate
	citronellyl oxyacetaldehyde
	citronellyl propionate
	citrus ocimenol
	coranol
para-	cresyl isobutyrate
para-	cresyl phenyl acetate
para-	cresyl propionaldehyde
	cubeb oil
	cumin acetaldehyde
	cumin oleoresin
	cumin seed absolute
	cumin seed oil
	cuminaldehyde
	cuminyl alcohol
	cuminyl nitrile
	cyclamen aldehyde / methyl anthranilate schiff's base
	cyclamen homoaldehyde
2-	cyclohexyl cyclohexanone
	cyclohexyl ethyl alcohol
	cyclohexyl propanol
2-	decalinol
3-	decanone
(Z)-4-	decen-1-al
2-	decen-1-al
	dihydrocarvyl acetate
	dihydrolinalool
	dimethyl benzyl carbinol
	dimethyl benzyl carbinyl butyrate
	dimethyl benzyl carbinyl formate
6,8-	dimethyl-2-nonanol
3,6-	dimethyl-3-octanol
	ethyl linalool
	ethyl linalyl acetal
	ethyl linalyl acetate
	ethyl linalyl ether
	ethyl methyl-para-tolyl glycidate
(E,E)-	farnesol
	floral butanal
	floral pyranol
	freesia acetate
	gardenia decalone
	geranium oil
	geranyl acetone
	geranyl isobutyrate
	grapefruit pentanol
	hawthorn ethanol
(Z)-3-	hexen-1-yl salicylate
alpha-	hexyl cinnamaldehyde
	hexyl cinnamate
	hydroxycitronellal
	hydroxycitronellal / methyl anthranilate schiff's base
	hydroxycitronellal diethyl acetal
	hydroxycitronellal dimethyl acetal
	hydroxycitronellol
	ivy dioxolane
	jasimia
	jasmin cyclopentanol
	leerall
	leerall / methyl anthranilate schiff's base
	lily pentanal
	lily propanol
	lilyall
	lilyall / methyl anthranilate schiff's base
	linalool
dextro-	linalool
laevo-	linalool
	linalool oxide
	linalyl anthranilate
	linalyl benzoate
	linalyl cinnamate
	linalyl propionate
	magnolia cyclohexanol
	magnolia decadienal
	methoxycitronellal
para-	methyl hydratropaldehyde
2-	methyl octanal
	methyl octine carbonate
	mimosa absolute
	muguet butanal
	muguet butanol
	muguet carbaldehyde
	muguet carbinol
	muguet carboxaldehyde
	muguet ethanol
	muguet nitrile
	muguet octadienol
	muguet propanol
	muguet shiseol
	muguet undecadienal
	myrmac aldehyde
	neroli oil
	nerolidol
	nonanal
	nonisyl acetate
	octanal dimethyl acetal
	octyl phenyl acetate
	orange leaf absolute
	ozone propanal
	papaya isobutyrate
	perillaldehyde
	phenyl glycol diacetate
2-	phenyl propionaldehyde ethylene glycol acetal
4-iso	propyl-2-cyclohexenone
	rose butanoate
	savory oil summer
	savory oil winter
alpha-	terpinyl anthranilate
(±)-1,2,5,6-	tetrahydrocuminic acid
	tetrahydrolinalool
	tetrahydromyrcenol
	tricyclodecenyl acetate
	ylang ylang oil
(odor and/or flavor) used in :
	floral
	green
	hyacinth jacinthe
	muguet lily of the valley
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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