3-laevo-menthoxy-2-methyl propane-1,2-diol 195863-84-4

3-laevo-menthoxy-2-methyl propane-1,2-diol

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IUPAC name :

2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol

InChI :

InChI=1/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3/t11-,12-,13+,14?/m0/s1

InChIKey :

XCNCWOPROFTLGU-ICIURTGMBR

SMILES :

CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(C)(O)CO

cas number :	195863-84-4
fema number :	3849
jecfa number :	1411
fl. number :	02.254
molar refractivity :	69.55 ± 0.4 cm3
parachor :	603.7 ± 6.0 cm3
index of refraction :	1.479 ± 0.03
surface tension :	36.8 ± 5.0 dyne/cm
density :	0.99 ± 0.1 g/cm3
polarizability :	27.57 ± 0.5 10-24cm3
XlogP :	2.80
molecular weight :	244.3703200
formula :	C14 H28 O3
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

odor type :

minty

odor strength :

medium

odor description :
at 100.00 %.

cool minty

properties :

appearence :

colorless clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.97800 to 0.98400 @ 25.00 °C.

pounds per gallon - calc. :

8.138 to 8.188

refractive index :

1.46800 to 1.47400 @ 20.00 °C.

boiling point :

124.00 °C. @ 0.40 mm Hg

boiling point :

368.00 to 370.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

353.00 °F. TCC ( 178.33 °C. )

logP (o/w) :

2.98

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

Maximised Survey-derived Daily Intakes (MSDI-EU) :

ND (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

500.00 (μg/capita/day)

recommendation for 3-laevo-menthoxy-2-methyl propane-1,2-diol usage levels up to :

2.0000 % in the fragrance concentrate.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

EPI System :

view

EPA Chem. Sub. Inventory :

Yes

2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol

chemidplus :

195863844

EPA Substance Registry Services :

195863-84-4

references :

2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol

fl. number :

02.254

jecfa number :

1411

pubchem :

39726256

other :

synonyms :
3-laevo-	menthoxy-2-methyl propan-1,2-diol
3-(laevo-	menthoxy)-2-methyl propane-1,2-diol
	menthoxymethyl propane diol
laevo-2-	methyl-3-(5-methyl-2-(1-methyl ethyl) cyclohexyl)oxy-1,2-propane diol
2-	methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol
soluble in :
	alcohol
	water, slightly
insoluble in :
	water
(odor and/or flavor) blends with :
	camphene hydrate
dextro-neo	menthol
iso	menthone
laevo-	menthone
laevo-mono	menthyl glutarate
	menthyl propylene glycol carbonate
	thujyl alcohol
	verbenone
	WS-5
(odor and/or flavor) used in :
	mint
	peppermint
natural occurrence in :
	not found in nature

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