1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)hexitol
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Identifiers
Molecular formula
C22H42O8SMILES
CCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OCCO)OCCO)O
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Odor profile
Fragrance Odorless 47.52% Oily 36.6% Waxy 31.37% Fatty 30.46% Alcoholic 29.53% Buttery 25.06% Lactonic 24.93% Fresh 23.95% Peach 23.65% Sweet 22.99% Flavor Waxy 43.91% Fatty 43.06% Odorless 36.59% Oily 33.78% Mild 32.63% Sweet 31.76% Bland 29.77% Creamy 27.05% Sweet-like 26.27% Mushroom 24.2% Odor impact est.
Low -
Properties
XLogP3-AA
2.8pKa est.
5.83 (weak acid)Molecular weight
434.6 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
906°CFlash point
- 228.44 ˚C est.
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Synonyms
- DTXSID70860052
- FP35123
- 1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)hexitol
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Applications
1,4-Anhydro-6-O-dodecanoyl-2,3-bis-O-(2-hydroxyethyl)hexitol is used as a building block for sugar-derived surfactants and nonionic emulsifiers, finding applications in cosmetic and household formulations; it may also serve as a plasticizer or processing aid in biopolymers or certain plastics to improve flexibility and compatibility; the molecule’s hydrophilic sugar-like portion together with a long lauroyl chain supports use as an emulsifier or co-emulsifier in creams, cleansers, and other personal care products; in coatings and inks, it can act as a surface-tension modifier and pigment dispersant; and it can be prepared as an intermediate for other sugar ester derivatives aimed at enhanced formulation compatibility, always subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 50.79 methanol 182.04 isopropanol 21.98 water 39.36 ethyl acetate 88.63 n-propanol 44.39 acetone 120.46 n-butanol 31.16 acetonitrile 53.16 DMF 369.43 toluene 17.79 isobutanol 28.69 1,4-dioxane 86.65 methyl acetate 82.41 THF 151.07 2-butanone 74.64 n-pentanol 27.45 sec-butanol 26.44 n-hexane 0.98 ethylene glycol 54.36 NMP 688.8 cyclohexane 4.58 DMSO 906.46 n-butyl acetate 40.64 n-octanol 24.4 chloroform 134.27 n-propyl acetate 53.72 acetic acid 546.13 dichloromethane 186.86 cyclohexanone 196.33 propylene glycol 54.0 isopropyl acetate 59.3 DMAc 554.94 2-ethoxyethanol 130.45 isopentanol 27.15 n-heptane 1.61 ethyl formate 88.7 1,2-dichloroethane 119.09 n-hexanol 18.27 2-methoxyethanol 203.14 isobutyl acetate 31.17 tetrachloromethane 26.77 n-pentyl acetate 71.34 transcutol 310.51 n-heptanol 27.29 ethylbenzene 10.24 MIBK 42.66 2-propoxyethanol 84.53 tert-butanol 29.05 MTBE 19.55 2-butoxyethanol 102.96 propionic acid 177.19 o-xylene 20.24 formic acid 480.71 diethyl ether 18.06 m-xylene 15.99 p-xylene 13.54 chlorobenzene 33.5 dimethyl carbonate 99.63 n-octane 1.21 formamide 488.19 cyclopentanone 247.9 2-pentanone 62.26 anisole 28.04 cyclopentyl methyl ether 75.97 gamma-butyrolactone 396.51 1-methoxy-2-propanol 124.04 pyridine 97.17 3-pentanone 61.48 furfural 325.43 n-dodecane 1.09 diethylene glycol 99.91 diisopropyl ether 8.06 tert-amyl alcohol 34.32 acetylacetone 173.06 n-hexadecane 1.24 acetophenone 71.23 methyl propionate 106.83 isopentyl acetate 40.14 trichloroethylene 254.34 n-nonanol 24.01 cyclohexanol 57.61 benzyl alcohol 50.38 2-ethylhexanol 15.03 isooctanol 22.99 dipropyl ether 15.66 1,2-dichlorobenzene 48.72 ethyl lactate 74.34 propylene carbonate 216.53 n-methylformamide 237.26 2-pentanol 18.28 n-pentane 1.07 1-propoxy-2-propanol 60.45 1-methoxy-2-propyl acetate 80.93 2-(2-methoxypropoxy) propanol 82.4 mesitylene 10.8 ε-caprolactone 238.62 p-cymene 10.4 epichlorohydrin 259.96 1,1,1-trichloroethane 75.5 2-aminoethanol 90.0 morpholine-4-carbaldehyde 368.03 sulfolane 788.67 2,2,4-trimethylpentane 1.69 2-methyltetrahydrofuran 85.85 n-hexyl acetate 64.59 isooctane 0.76 2-(2-butoxyethoxy)ethanol 104.93 sec-butyl acetate 37.09 tert-butyl acetate 66.08 decalin 2.86 glycerin 143.94 diglyme 238.57 acrylic acid 226.66 isopropyl myristate 19.51 n-butyric acid 191.63 acetyl acetate 121.42 di(2-ethylhexyl) phthalate 33.02 ethyl propionate 50.89 nitromethane 669.53 1,2-diethoxyethane 50.33 benzonitrile 52.25 trioctyl phosphate 26.34 1-bromopropane 25.39 gamma-valerolactone 406.08 n-decanol 15.03 triethyl phosphate 44.23 4-methyl-2-pentanol 13.37 propionitrile 32.22 vinylene carbonate 222.94 1,1,2-trichlorotrifluoroethane 408.25 DMS 83.34 cumene 8.79 2-octanol 17.0 2-hexanone 39.24 octyl acetate 31.7 limonene 15.41 1,2-dimethoxyethane 116.57 ethyl orthosilicate 36.51 tributyl phosphate 31.33 diacetone alcohol 106.61 N,N-dimethylaniline 29.09 acrylonitrile 66.07 aniline 42.07 1,3-propanediol 94.44 bromobenzene 30.95 dibromomethane 73.88 1,1,2,2-tetrachloroethane 204.45 2-methyl-cyclohexyl acetate 45.54 tetrabutyl urea 44.55 diisobutyl methanol 9.37 2-phenylethanol 35.24 styrene 11.65 dioctyl adipate 45.9 dimethyl sulfate 290.66 ethyl butyrate 41.58 methyl lactate 129.86 butyl lactate 85.71 diethyl carbonate 35.09 propanediol butyl ether 90.43 triethyl orthoformate 42.73 p-tert-butyltoluene 9.74 methyl 4-tert-butylbenzoate 94.37 morpholine 135.73 tert-butylamine 11.23 n-dodecanol 10.05 dimethoxymethane 139.15 ethylene carbonate 175.13 cyrene 141.56 2-ethoxyethyl acetate 117.03 2-ethylhexyl acetate 31.85 1,2,4-trichlorobenzene 71.82 4-methylpyridine 70.25 dibutyl ether 17.17 2,6-dimethyl-4-heptanol 9.37 DEF 156.04 dimethyl isosorbide 142.56 tetrachloroethylene 145.0 eugenol 85.48 triacetin 153.17 span 80 72.13 1,4-butanediol 48.84 1,1-dichloroethane 56.91 2-methyl-1-pentanol 26.18 methyl formate 183.86 2-methyl-1-butanol 31.05 n-decane 2.06 butyronitrile 27.93 3,7-dimethyl-1-octanol 19.21 1-chlorooctane 11.87 1-chlorotetradecane 4.17 n-nonane 1.76 undecane 1.41 tert-butylcyclohexane 1.77 cyclooctane 2.03 cyclopentanol 73.04 tetrahydropyran 58.81 tert-amyl methyl ether 25.14 2,5,8-trioxanonane 148.69 1-hexene 3.79 2-isopropoxyethanol 72.7 2,2,2-trifluoroethanol 345.07 methyl butyrate 74.75 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 |