2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol
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Identifiers
Molecular formula
C14H28O3SMILES
C[C@H]1CC[C@H]([C@@H](C1)OCC(C)(CO)O)C(C)C
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Odor profile
Fragrance Mint 63.46% Cooling 48.97% Odorless 47.24% Camphoreous 27.81% Woody 27.51% Fruity 25.7% Dry 20.98% Fresh 20.9% Alcoholic 20.75% Musk 20.05% Flavor Fruity 36.74% Sweet 36.48% Herbal 33.68% Mild 29.75% Minty 27.52% Green 27.46% Tropical 25.95% Odorless 25.13% Earthy 23.06% Herb 22.97% Odor impact est.
Medium -
Properties
XLogP3-AA
2.4pKa est.
8.32 (weak base)Molecular weight
244.37 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
332°CFlash point
- 151.09 ˚C est.
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Applications
2-methyl-3-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol is commonly encountered as a glyceryl ether used as an intermediate and solvent in specialty chemical synthesis; in cosmetics and personal care it can function as a solubilizer or emollient; in perfumery it may serve as a fragrance ingredient or fixative; in household products it can act as a solvent or conditioning aid; in coatings and inks it may serve as a processing solvent or formulation aid; in polymers and plastics it can act as a plasticizer or processing aid, and it may be evaluated as an industrial intermediate for related glyceryl ether derivatives.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1937.56 methanol 2173.69 isopropanol 1585.1 water 5.72 ethyl acetate 1113.1 n-propanol 1465.36 acetone 1142.0 n-butanol 1324.28 acetonitrile 601.13 DMF 779.83 toluene 281.84 isobutanol 1088.04 1,4-dioxane 1716.27 methyl acetate 767.85 THF 2132.92 2-butanone 763.8 n-pentanol 651.62 sec-butanol 1036.84 n-hexane 114.93 ethylene glycol 307.07 NMP 579.43 cyclohexane 284.11 DMSO 1038.06 n-butyl acetate 913.19 n-octanol 406.24 chloroform 1659.06 n-propyl acetate 644.8 acetic acid 1809.78 dichloromethane 978.55 cyclohexanone 1243.78 propylene glycol 540.01 isopropyl acetate 904.3 DMAc 615.36 2-ethoxyethanol 948.37 isopentanol 1132.24 n-heptane 85.07 ethyl formate 702.51 1,2-dichloroethane 781.81 n-hexanol 989.17 2-methoxyethanol 1636.58 isobutyl acetate 517.94 tetrachloromethane 403.37 n-pentyl acetate 534.07 transcutol 2886.77 n-heptanol 497.12 ethylbenzene 171.28 MIBK 624.03 2-propoxyethanol 1257.8 tert-butanol 2078.58 MTBE 1531.21 2-butoxyethanol 830.38 propionic acid 982.24 o-xylene 232.75 formic acid 667.72 diethyl ether 1005.9 m-xylene 270.65 p-xylene 252.14 chlorobenzene 406.98 dimethyl carbonate 255.42 n-octane 37.71 formamide 666.06 cyclopentanone 1055.91 2-pentanone 775.85 anisole 354.77 cyclopentyl methyl ether 891.48 gamma-butyrolactone 1190.71 1-methoxy-2-propanol 1226.87 pyridine 676.32 3-pentanone 492.25 furfural 971.09 n-dodecane 24.77 diethylene glycol 875.41 diisopropyl ether 427.83 tert-amyl alcohol 1244.25 acetylacetone 833.12 n-hexadecane 28.06 acetophenone 343.0 methyl propionate 599.62 isopentyl acetate 917.51 trichloroethylene 1449.06 n-nonanol 342.13 cyclohexanol 1086.95 benzyl alcohol 372.61 2-ethylhexanol 526.93 isooctanol 420.47 dipropyl ether 495.62 1,2-dichlorobenzene 390.58 ethyl lactate 326.86 propylene carbonate 815.6 n-methylformamide 659.53 2-pentanol 888.69 n-pentane 136.02 1-propoxy-2-propanol 978.79 1-methoxy-2-propyl acetate 821.29 2-(2-methoxypropoxy) propanol 568.2 mesitylene 217.67 ε-caprolactone 1137.96 p-cymene 175.58 epichlorohydrin 1237.6 1,1,1-trichloroethane 935.76 2-aminoethanol 746.12 morpholine-4-carbaldehyde 969.79 sulfolane 1082.55 2,2,4-trimethylpentane 104.44 2-methyltetrahydrofuran 1305.51 n-hexyl acetate 667.26 isooctane 92.09 2-(2-butoxyethoxy)ethanol 965.26 sec-butyl acetate 518.7 tert-butyl acetate 973.86 decalin 94.42 glycerin 669.81 diglyme 1567.82 acrylic acid 688.32 isopropyl myristate 232.24 n-butyric acid 1887.42 acetyl acetate 744.44 di(2-ethylhexyl) phthalate 222.74 ethyl propionate 449.24 nitromethane 1530.81 1,2-diethoxyethane 816.89 benzonitrile 396.29 trioctyl phosphate 198.69 1-bromopropane 486.94 gamma-valerolactone 1528.84 n-decanol 238.89 triethyl phosphate 238.27 4-methyl-2-pentanol 577.07 propionitrile 541.44 vinylene carbonate 684.66 1,1,2-trichlorotrifluoroethane 1137.53 DMS 399.25 cumene 157.1 2-octanol 303.84 2-hexanone 476.06 octyl acetate 299.87 limonene 288.66 1,2-dimethoxyethane 1228.15 ethyl orthosilicate 266.87 tributyl phosphate 236.91 diacetone alcohol 888.69 N,N-dimethylaniline 240.78 acrylonitrile 512.41 aniline 474.34 1,3-propanediol 1209.05 bromobenzene 375.14 dibromomethane 756.85 1,1,2,2-tetrachloroethane 1349.26 2-methyl-cyclohexyl acetate 449.25 tetrabutyl urea 232.13 diisobutyl methanol 344.68 2-phenylethanol 447.58 styrene 187.76 dioctyl adipate 314.38 dimethyl sulfate 362.69 ethyl butyrate 565.45 methyl lactate 398.95 butyl lactate 500.62 diethyl carbonate 348.51 propanediol butyl ether 762.82 triethyl orthoformate 448.91 p-tert-butyltoluene 186.78 methyl 4-tert-butylbenzoate 435.12 morpholine 1736.51 tert-butylamine 1275.47 n-dodecanol 174.57 dimethoxymethane 718.11 ethylene carbonate 699.92 cyrene 382.21 2-ethoxyethyl acetate 641.71 2-ethylhexyl acetate 650.54 1,2,4-trichlorobenzene 463.69 4-methylpyridine 640.76 dibutyl ether 385.58 2,6-dimethyl-4-heptanol 344.68 DEF 683.11 dimethyl isosorbide 724.87 tetrachloroethylene 1014.81 eugenol 380.25 triacetin 574.61 span 80 533.35 1,4-butanediol 422.97 1,1-dichloroethane 912.18 2-methyl-1-pentanol 570.2 methyl formate 533.15 2-methyl-1-butanol 904.45 n-decane 49.03 butyronitrile 713.86 3,7-dimethyl-1-octanol 418.63 1-chlorooctane 211.04 1-chlorotetradecane 70.44 n-nonane 49.41 undecane 33.04 tert-butylcyclohexane 97.03 cyclooctane 94.99 cyclopentanol 879.68 tetrahydropyran 1592.98 tert-amyl methyl ether 827.23 2,5,8-trioxanonane 842.98 1-hexene 292.88 2-isopropoxyethanol 716.35 2,2,2-trifluoroethanol 617.32 methyl butyrate 651.63 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |