(2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
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Identifiers
Molecular formula
C15H29NO4SMILES
CC(C)[C@H]([C@H]([C@@H]([C@H](CC1CCCCC1)N)O)O)C(=O)O
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Odor profile
Fragrance Odorless 54.98% Cooling 43.6% Mint 35.8% Savory 23.42% Herbal 20.2% Oily 18.48% Milky 17.57% Fruity 17.26% Grapefruit 17.07% Fresh 16.98% Flavor Odorless 49.49% Bland 30.83% Bitter 30.08% Mild 29.55% Sweet-like 23.02% Cedarleaf 19.82% Yeasty 19.59% Sandalwood 19.36% Mentholic 19.21% Nitrile 19.2% Odor impact est.
Low -
Properties
XLogP3-AA
-0.2pKa est.
4.92 (weak acid)Molecular weight
287.39 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
449°CFlash point
- 195.71 ˚C est.
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Synonyms
- (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid
- (E)-carveol,(E)-p-mentha-6,8-dien-2-ol,trans-1-methyl-4-isoprpenyl-6-cyclohexen-2-ol
- Q27458715
- 5-amino-6-cyclohexyl-3,4-dihydroxy-2-isopropyl-hexanoic acid
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Applications
Explicitly, the compound, (2R,3R,4R,5S)-5-amino-6-cyclohexyl-3,4-dihydroxy-2-propan-2-ylhexanoic acid, is viewed primarily as a chiral building block and synthetic intermediate in pharmaceutical and specialty chemical development; it can serve as a functional monomer or crosslinking component in specialized polymers and plastics, leveraging its multiple hydroxyl groups and amino functionality; in cosmetics and personal care, the diol and amino functionalities may be leveraged as a conditioning or humectant-like component in formulations; in coatings and inks, adhesives, and cleaning formulations, it may act as a functional additive or crosslinking agent; and in industrial manufacturing it is evaluated as a scaffold or precursor for catalyst systems in asymmetric synthesis. Its use is typically governed by local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 6.5 methanol 41.53 isopropanol 2.97 water 6.32 ethyl acetate 2.95 n-propanol 4.0 acetone 1.76 n-butanol 3.34 acetonitrile 1.15 DMF 5.65 toluene 1.82 isobutanol 3.83 1,4-dioxane 7.95 methyl acetate 1.6 THF 27.49 2-butanone 1.86 n-pentanol 3.37 sec-butanol 2.35 n-hexane 0.34 ethylene glycol 27.34 NMP 71.93 cyclohexane 0.77 DMSO 122.77 n-butyl acetate 4.45 n-octanol 1.82 chloroform 3.69 n-propyl acetate 2.58 acetic acid 62.22 dichloromethane 3.54 cyclohexanone 17.34 propylene glycol 24.39 isopropyl acetate 3.64 DMAc 17.23 2-ethoxyethanol 22.96 isopentanol 5.26 n-heptane 0.44 ethyl formate 3.66 1,2-dichloroethane 3.42 n-hexanol 7.41 2-methoxyethanol 42.26 isobutyl acetate 2.52 tetrachloromethane 1.5 n-pentyl acetate 3.14 transcutol 45.76 n-heptanol 4.79 ethylbenzene 1.67 MIBK 4.57 2-propoxyethanol 34.19 tert-butanol 6.06 MTBE 1.44 2-butoxyethanol 18.27 propionic acid 15.39 o-xylene 3.03 formic acid 128.29 diethyl ether 0.95 m-xylene 3.49 p-xylene 2.06 chlorobenzene 2.47 dimethyl carbonate 3.61 n-octane 0.24 formamide 67.94 cyclopentanone 25.96 2-pentanone 2.98 anisole 2.54 cyclopentyl methyl ether 12.01 gamma-butyrolactone 46.78 1-methoxy-2-propanol 23.5 pyridine 5.31 3-pentanone 2.26 furfural 41.6 n-dodecane 0.13 diethylene glycol 65.36 diisopropyl ether 1.05 tert-amyl alcohol 5.32 acetylacetone 10.39 n-hexadecane 0.15 acetophenone 6.97 methyl propionate 3.78 isopentyl acetate 6.57 trichloroethylene 8.24 n-nonanol 1.97 cyclohexanol 9.72 benzyl alcohol 8.18 2-ethylhexanol 4.43 isooctanol 4.45 dipropyl ether 1.98 1,2-dichlorobenzene 3.96 ethyl lactate 8.43 propylene carbonate 21.69 n-methylformamide 10.39 2-pentanol 2.51 n-pentane 0.22 1-propoxy-2-propanol 18.25 1-methoxy-2-propyl acetate 14.42 2-(2-methoxypropoxy) propanol 16.23 mesitylene 2.99 ε-caprolactone 23.04 p-cymene 2.55 epichlorohydrin 22.87 1,1,1-trichloroethane 2.21 2-aminoethanol 31.59 morpholine-4-carbaldehyde 45.08 sulfolane 156.89 2,2,4-trimethylpentane 0.36 2-methyltetrahydrofuran 11.65 n-hexyl acetate 3.72 isooctane 0.33 2-(2-butoxyethoxy)ethanol 24.26 sec-butyl acetate 2.34 tert-butyl acetate 6.8 decalin 0.71 glycerin 81.88 diglyme 28.73 acrylic acid 23.4 isopropyl myristate 1.45 n-butyric acid 17.71 acetyl acetate 4.65 di(2-ethylhexyl) phthalate 4.96 ethyl propionate 2.74 nitromethane 23.71 1,2-diethoxyethane 3.72 benzonitrile 4.14 trioctyl phosphate 3.78 1-bromopropane 1.01 gamma-valerolactone 56.62 n-decanol 1.53 triethyl phosphate 4.24 4-methyl-2-pentanol 3.45 propionitrile 1.07 vinylene carbonate 14.95 1,1,2-trichlorotrifluoroethane 60.71 DMS 5.43 cumene 1.98 2-octanol 2.22 2-hexanone 2.31 octyl acetate 2.12 limonene 3.22 1,2-dimethoxyethane 10.51 ethyl orthosilicate 4.09 tributyl phosphate 3.36 diacetone alcohol 23.79 N,N-dimethylaniline 3.92 acrylonitrile 2.29 aniline 4.93 1,3-propanediol 32.45 bromobenzene 2.1 dibromomethane 2.37 1,1,2,2-tetrachloroethane 8.43 2-methyl-cyclohexyl acetate 7.23 tetrabutyl urea 4.5 diisobutyl methanol 3.4 2-phenylethanol 10.78 styrene 1.19 dioctyl adipate 2.97 dimethyl sulfate 16.53 ethyl butyrate 3.37 methyl lactate 16.79 butyl lactate 9.6 diethyl carbonate 2.29 propanediol butyl ether 19.14 triethyl orthoformate 4.0 p-tert-butyltoluene 2.61 methyl 4-tert-butylbenzoate 12.38 morpholine 11.68 tert-butylamine 2.1 n-dodecanol 1.18 dimethoxymethane 6.84 ethylene carbonate 11.59 cyrene 41.02 2-ethoxyethyl acetate 5.88 2-ethylhexyl acetate 4.33 1,2,4-trichlorobenzene 5.72 4-methylpyridine 3.92 dibutyl ether 0.9 2,6-dimethyl-4-heptanol 3.4 DEF 5.38 dimethyl isosorbide 43.12 tetrachloroethylene 9.29 eugenol 14.71 triacetin 7.81 span 80 17.78 1,4-butanediol 14.38 1,1-dichloroethane 1.3 2-methyl-1-pentanol 4.75 methyl formate 8.76 2-methyl-1-butanol 4.21 n-decane 0.21 butyronitrile 1.35 3,7-dimethyl-1-octanol 2.65 1-chlorooctane 0.7 1-chlorotetradecane 0.35 n-nonane 0.19 undecane 0.16 tert-butylcyclohexane 0.52 cyclooctane 0.57 cyclopentanol 14.73 tetrahydropyran 4.37 tert-amyl methyl ether 2.04 2,5,8-trioxanonane 24.71 1-hexene 0.65 2-isopropoxyethanol 13.44 2,2,2-trifluoroethanol 30.09 methyl butyrate 3.77 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 |