Bis[5-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
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Identifiers
Molecular formula
C27H50O5SMILES
CC(C)C1CCC(CC1OC(=O)OC2CC(CCC2C(C)C)(C)CC(C)O)(C)CC(C)O
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Odor profile
Fragrance Mint 46.12% Floral 44.83% Woody 44.38% Herbal 41.6% Odorless 35.39% Cooling 35.2% Balsamic 34.67% Fresh 32.09% Pine 25.65% Sweet 25.62% Flavor Fruity 42.62% Herbal 39.57% Green 39.34% Tropical 36.24% Sweet 34.18% Minty 31.99% Woody 31.41% Mild 30.35% Floral 28.64% Herb 25.23% Odor impact est.
Low -
Properties
XLogP3-AA
7.4pKa est.
6.69 (neutral)Molecular weight
454.7 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra fastBoiling point est.
150°CFlash point
- 190.9 ˚C est.
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Synonyms
- SCHEMBL1199310
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Applications
Bis[5-(2-hydroxypropyl)-5-methyl-2-propan-2-ylcyclohexyl] carbonate is used as a di-functional carbonate building block in polymer and plastics formulations, acting as a monomer or crosslinking component to form polycarbonate networks and high-temperature resistant polymer systems. In coatings and inks, it is often employed as a reactive linker or reactive diluent for UV-curable and thermally cured systems, helping to tune adhesion and film hardness. In industrial adhesives and sealants, it can serve as a reactive-adding component or viscosity-reducing diluent to optimize processing and final bond strength. In electronics, it is considered as a precursor for coatings or encapsulation/potting materials due to its thermal and chemical stability. Additional applications depend on formulation and local regulations, but it is commonly evaluated as a building block for specialty polymers and industrial plastic systems. CAS number:
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 127.22 methanol 145.66 isopropanol 59.79 water 1.21 ethyl acetate 126.54 n-propanol 102.09 acetone 151.28 n-butanol 63.26 acetonitrile 39.42 DMF 295.65 toluene 78.41 isobutanol 69.12 1,4-dioxane 250.67 methyl acetate 105.92 THF 762.21 2-butanone 133.0 n-pentanol 66.4 sec-butanol 56.36 n-hexane 6.77 ethylene glycol 22.66 NMP 765.38 cyclohexane 8.79 DMSO 349.34 n-butyl acetate 130.54 n-octanol 60.4 chloroform 266.28 n-propyl acetate 107.05 acetic acid 283.9 dichloromethane 267.9 cyclohexanone 287.57 propylene glycol 56.28 isopropyl acetate 104.32 DMAc 426.51 2-ethoxyethanol 156.33 isopentanol 52.97 n-heptane 6.5 ethyl formate 78.95 1,2-dichloroethane 159.44 n-hexanol 76.59 2-methoxyethanol 225.83 isobutyl acetate 98.48 tetrachloromethane 41.2 n-pentyl acetate 154.35 transcutol 604.0 n-heptanol 70.22 ethylbenzene 38.12 MIBK 87.42 2-propoxyethanol 252.4 tert-butanol 60.33 MTBE 56.4 2-butoxyethanol 191.38 propionic acid 148.52 o-xylene 54.27 formic acid 128.26 diethyl ether 64.4 m-xylene 65.57 p-xylene 57.64 chlorobenzene 104.05 dimethyl carbonate 88.29 n-octane 3.46 formamide 131.88 cyclopentanone 464.18 2-pentanone 110.87 anisole 78.38 cyclopentyl methyl ether 251.69 gamma-butyrolactone 634.87 1-methoxy-2-propanol 203.32 pyridine 212.84 3-pentanone 102.83 furfural 336.23 n-dodecane 2.49 diethylene glycol 141.77 diisopropyl ether 26.98 tert-amyl alcohol 57.66 acetylacetone 172.87 n-hexadecane 2.92 acetophenone 112.89 methyl propionate 145.15 isopentyl acetate 128.92 trichloroethylene 332.17 n-nonanol 62.41 cyclohexanol 87.34 benzyl alcohol 86.68 2-ethylhexanol 52.47 isooctanol 58.95 dipropyl ether 65.74 1,2-dichlorobenzene 99.34 ethyl lactate 74.79 propylene carbonate 266.85 n-methylformamide 160.68 2-pentanol 40.07 n-pentane 5.16 1-propoxy-2-propanol 187.36 1-methoxy-2-propyl acetate 207.78 2-(2-methoxypropoxy) propanol 177.87 mesitylene 39.47 ε-caprolactone 333.37 p-cymene 37.25 epichlorohydrin 494.97 1,1,1-trichloroethane 133.26 2-aminoethanol 75.74 morpholine-4-carbaldehyde 499.71 sulfolane 797.01 2,2,4-trimethylpentane 5.0 2-methyltetrahydrofuran 327.22 n-hexyl acetate 174.22 isooctane 3.52 2-(2-butoxyethoxy)ethanol 254.85 sec-butyl acetate 80.55 tert-butyl acetate 126.28 decalin 8.35 glycerin 88.83 diglyme 378.65 acrylic acid 140.13 isopropyl myristate 57.15 n-butyric acid 158.15 acetyl acetate 96.47 di(2-ethylhexyl) phthalate 83.03 ethyl propionate 93.4 nitromethane 283.44 1,2-diethoxyethane 147.41 benzonitrile 76.35 trioctyl phosphate 59.28 1-bromopropane 71.16 gamma-valerolactone 660.14 n-decanol 40.63 triethyl phosphate 59.05 4-methyl-2-pentanol 32.32 propionitrile 42.17 vinylene carbonate 213.57 1,1,2-trichlorotrifluoroethane 320.39 DMS 155.15 cumene 31.26 2-octanol 44.31 2-hexanone 98.8 octyl acetate 86.13 limonene 51.73 1,2-dimethoxyethane 171.65 ethyl orthosilicate 57.68 tributyl phosphate 61.96 diacetone alcohol 147.9 N,N-dimethylaniline 68.23 acrylonitrile 57.41 aniline 98.12 1,3-propanediol 95.17 bromobenzene 103.11 dibromomethane 155.19 1,1,2,2-tetrachloroethane 253.0 2-methyl-cyclohexyl acetate 118.56 tetrabutyl urea 86.1 diisobutyl methanol 29.61 2-phenylethanol 110.5 styrene 39.75 dioctyl adipate 100.05 dimethyl sulfate 187.93 ethyl butyrate 93.8 methyl lactate 111.44 butyl lactate 143.67 diethyl carbonate 59.12 propanediol butyl ether 196.06 triethyl orthoformate 81.73 p-tert-butyltoluene 38.91 methyl 4-tert-butylbenzoate 180.2 morpholine 344.94 tert-butylamine 29.55 n-dodecanol 26.53 dimethoxymethane 228.65 ethylene carbonate 176.42 cyrene 194.93 2-ethoxyethyl acetate 224.37 2-ethylhexyl acetate 110.22 1,2,4-trichlorobenzene 156.98 4-methylpyridine 175.85 dibutyl ether 49.05 2,6-dimethyl-4-heptanol 29.61 DEF 160.24 dimethyl isosorbide 351.17 tetrachloroethylene 179.85 eugenol 146.14 triacetin 215.87 span 80 174.42 1,4-butanediol 45.84 1,1-dichloroethane 114.75 2-methyl-1-pentanol 54.58 methyl formate 121.83 2-methyl-1-butanol 59.05 n-decane 5.02 butyronitrile 41.9 3,7-dimethyl-1-octanol 53.72 1-chlorooctane 30.76 1-chlorotetradecane 10.21 n-nonane 4.49 undecane 3.34 tert-butylcyclohexane 7.82 cyclooctane 4.54 cyclopentanol 149.18 tetrahydropyran 202.13 tert-amyl methyl ether 61.14 2,5,8-trioxanonane 237.08 1-hexene 23.19 2-isopropoxyethanol 123.04 2,2,2-trifluoroethanol 105.34 methyl butyrate 110.95 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
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 |