menthoxypropane diol
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IUPAC name :3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
InChI :InChI=1/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3
InChIKey :MDVYIGJINBYKOM-UHFFFAOYAS
SMILES :CC1CCC(C(C1)OCC(CO)O)C(C)C
cas number :87061-04-9
(EINECS) number :289-296-2
fema number :3784
jecfa number :1408
fl. number :02.224
molar refractivity :64.89 ± 0.4 cm3
parachor :565.3 ± 6.0 cm3
index of refraction :1.478 ± 0.03
surface tension :37.2 ± 5.0 dyne/cm
density :1.00 ± 0.1 g/cm3
polarizability :25.72 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 230.3437400
formula :C13 H26 O3
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Apple :Cooling agent MOPD
Penta :menthoxypropane diol

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
minty vanilla

properties :
appearence :colorless clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98900 to 0.99900 @ 25.00 °C.
pounds per gallon - calc. : 8.229 to 8.313
refractive index :1.47200 to 1.47600 @ 20.00 °C.
boiling point : 121.00 to 125.00 °C. @ 0.25 mm Hg
boiling point : 361.00 to 362.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 343.00  °F.  TCC  ( 172.78 °C. )
logP (o/w) : 2.63

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) :789.00 (μg/capita/day)
 
recommendation for menthoxypropane diol usage levels up to :
 not for fragrance use.

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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
(EINECS) number :289-296-2
chemidplus :087061049
EPA Substance Registry Services :87061-04-9

references :
 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
fl. number :02.224
jecfa number :1408
pubchem :199645

Cosmetics :
Cosmetic uses : masking agents
refreshing agents

other :
CosIng :cosmetic data
synonyms :
 cooling agent no. 10
3-1-(para-menthane-3-yl oxy)-1,2-propane diol
3-(1-menthoxy) propane-1,2-diol
3-1-menthoxypropane-1,2-diol
 menthoxypropanediol
3-((5-methyl-2-(1-methyl ethyl)cyclohexyl)oxy)-1,2-propane diol
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol

soluble in :
 alcohol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
2-acetoxy-1,8-cineole
 agathosma crenulata oil
 basil oleoresin sweet
 buchu leaf oil
 buchu mercaptan
para-tert-butyl cyclohexanone
isobutyraldehyde
 camel grass oil
 camphene hydrate
dextro-camphor
 camphor oil
laevo-carveol
 carvone
laevo-carvone
 carvyl propionate
1,4-cineole
 citronellal diisotridecyl acetal
 cornmint oil
 cornmint oil india
 cornmint oil terpeneless
beta-cyclocitral
 cyclohexanone
 cyclohexyl ethyl acetate
 cyclohexyl propanol
 cyclopentanone
2-cyclopentyl cyclopentanone
2-decalinol
 dehydroxylinalool oxide
N,N-diethyl octanamide
 dihydrocarveol
 dihydrocarvyl acetate
isodihydrolavandulol
isodihydrolavandulyl acetate
2',4'-dimethyl acetophenone
2-(1,1-dimethyl ethyl)-4-methyl cyclohexanol
(±)-N,N-dimethyl menthyl succinamide
 diosphenol
 earthy indane
 eucarvone
 floral methanol
 foeniculum vulgare piperitum oil
 geranium absolute
 geranium oil china
 herbal ethanone
 herbal undecanol
 hyssop oil
 lilac lactone
 limonen-10-yl acetate
 lippia alnifolia schau. leaf oil brazil
 mentha longifolia (l.) huds. oil jordan
(E)-para-mentha-2,8-dien-1-ol
dextro-2,8-para-menthadien-1-ol
(Z+E)-para-1(7)8-menthadien-2-yl acetate
 menthadienyl formate
(E)-para-menthan-2-one
(E)-para-menthane-3,8-diol
para-menthane-3,8-diol
 menthol
dextro-neomenthol
dextro,laevo-menthol
homomenthol
laevo-menthol
isomenthone
laevo-menthone
3-laevo-menthoxy-2-methyl propane-1,2-diol
 menthyl acetate
dextro,laevo-menthyl acetate
homomenthyl acetate
laevo-menthyl acetate
laevo-monomenthyl glutarate
laevo-menthyl methyl ether
 menthyl propylene glycol carbonate
2-methyl 3-(methyl thio) furan 10% in triacetin
2-methyl cyclohexanone
 mint oils
 muguet butanol
 myrtenol
 ocimene quintoxide
3-octanol
 pennyroyal oil
 pennyroyal oil cuba
 pennyroyal oil spain
 pennyroyal oil uruguay
 peppermint cyclohexanone
 peppermint oil
 peppermint oil CO2 extract
 peppermint oil terpeneless america
 perillaldehyde
beta-phellandrene
(Z,Z)-photocitral A
 pine hexanol
(+)-alpha-pinene
 pinocarvone
 piperitenone
 piperitenone oxide
 piperitone
dextro-piperitone
laevo-piperitone
 plectranthus glandulosus hook f. leaf oil cameroon
isopropyl pyrazine
isopropyl tiglate
isopulegol
 pulegone
isopulegone
isopulegyl formate
 rosemary absolute
 rosemary oil morocco
 sabinene hydrate
 satureja viminea l. oil costa rica
 spearmint absolute
 spearmint oil
 spearmint oil terpeneless
 tetrahydrocarvone
 thiogeraniol
 thujyl alcohol
 trimethyl isopropyl butanamide
 umbellulone
laevo-verbenone
 viridiflorol
 wintergreen oil
 WS-5
 ylang ylang oil
 ylang ylang oil CO2 extract
 ylang ylang oil I
 ylang ylang oil II
 ylang ylang oil III

(odor and/or flavor) used in :
 mint
 refreshing agents

natural occurrence in :
not found in nature



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