2-(1-Hydroxypentyl)cyclohex-2-ene-1-carboxylic acid
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Identifiers
Molecular formula
C12H20O3SMILES
CCCCC(C1=CCCCC1C(=O)O)O
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Odor profile
Fragrance Herbal 41.79% Mint 38.99% Fruity 37.92% Cooling 33.39% Odorless 29.64% Sweet 27.88% Lactonic 26.41% Spicy 23.75% Balsamic 21.57% Jasmin 20.71% Flavor Odorless 31.85% Fatty 26.02% Herbal 23.0% Mild 20.94% Leaves 20.23% Oily 19.84% Cedarleaf 19.78% Linalool 19.64% Lovage 19.26% Cultured dairy 19.21% Odor impact est.
Low -
Properties
XLogP3-AA
2.0pKa est.
7.48 (neutral)Molecular weight
212.28 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
334°CFlash point
- 173.75 ˚C est.
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Applications
2-(1-Hydroxypentyl)cyclohex-2-ene-1-carboxylic acid is a synthetic intermediate with multiple industrial applications; specifically, it is commonly used as a precursor in the synthesis of fragrance compounds for perfumery, can serve as an intermediate in cosmetics and personal-care formulations, may act as a precursor in pharmaceutical synthesis, and can serve as a building block for polymer and plastic production after functional modification.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 777.26 methanol 1279.12 isopropanol 714.02 water 0.41 ethyl acetate 176.6 n-propanol 632.72 acetone 353.8 n-butanol 481.56 acetonitrile 128.51 DMF 1034.13 toluene 69.92 isobutanol 397.31 1,4-dioxane 452.87 methyl acetate 150.34 THF 605.74 2-butanone 235.17 n-pentanol 276.76 sec-butanol 395.26 n-hexane 8.74 ethylene glycol 148.58 NMP 369.22 cyclohexane 13.21 DMSO 1039.88 n-butyl acetate 184.62 n-octanol 89.92 chloroform 210.52 n-propyl acetate 116.2 acetic acid 235.14 dichloromethane 175.06 cyclohexanone 343.7 propylene glycol 195.51 isopropyl acetate 154.1 DMAc 536.53 2-ethoxyethanol 330.99 isopentanol 369.29 n-heptane 3.36 ethyl formate 117.03 1,2-dichloroethane 217.18 n-hexanol 305.88 2-methoxyethanol 684.57 isobutyl acetate 94.69 tetrachloromethane 27.53 n-pentyl acetate 97.39 transcutol 624.03 n-heptanol 114.64 ethylbenzene 45.94 MIBK 172.87 2-propoxyethanol 410.27 tert-butanol 682.74 MTBE 300.05 2-butoxyethanol 206.28 propionic acid 185.22 o-xylene 60.24 formic acid 127.31 diethyl ether 199.12 m-xylene 75.07 p-xylene 50.42 chlorobenzene 95.23 dimethyl carbonate 64.31 n-octane 3.11 formamide 166.97 cyclopentanone 374.34 2-pentanone 241.58 anisole 105.12 cyclopentyl methyl ether 218.84 gamma-butyrolactone 334.03 1-methoxy-2-propanol 508.21 pyridine 220.15 3-pentanone 121.89 furfural 259.71 n-dodecane 3.66 diethylene glycol 318.88 diisopropyl ether 59.2 tert-amyl alcohol 371.5 acetylacetone 217.47 n-hexadecane 4.21 acetophenone 103.62 methyl propionate 152.48 isopentyl acetate 178.27 trichloroethylene 310.31 n-nonanol 76.47 cyclohexanol 246.12 benzyl alcohol 131.18 2-ethylhexanol 113.79 isooctanol 89.52 dipropyl ether 67.06 1,2-dichlorobenzene 86.18 ethyl lactate 70.74 propylene carbonate 170.11 n-methylformamide 334.66 2-pentanol 266.36 n-pentane 8.06 1-propoxy-2-propanol 245.58 1-methoxy-2-propyl acetate 168.34 2-(2-methoxypropoxy) propanol 137.35 mesitylene 49.55 ε-caprolactone 242.69 p-cymene 30.83 epichlorohydrin 388.66 1,1,1-trichloroethane 119.41 2-aminoethanol 330.58 morpholine-4-carbaldehyde 372.45 sulfolane 443.31 2,2,4-trimethylpentane 8.2 2-methyltetrahydrofuran 322.89 n-hexyl acetate 123.6 isooctane 8.6 2-(2-butoxyethoxy)ethanol 224.54 sec-butyl acetate 87.11 tert-butyl acetate 170.38 decalin 11.12 glycerin 244.27 diglyme 340.95 acrylic acid 136.87 isopropyl myristate 46.63 n-butyric acid 307.1 acetyl acetate 83.6 di(2-ethylhexyl) phthalate 54.24 ethyl propionate 85.63 nitromethane 251.11 1,2-diethoxyethane 160.15 benzonitrile 111.88 trioctyl phosphate 45.67 1-bromopropane 103.12 gamma-valerolactone 454.94 n-decanol 57.07 triethyl phosphate 42.88 4-methyl-2-pentanol 144.93 propionitrile 145.06 vinylene carbonate 143.79 1,1,2-trichlorotrifluoroethane 256.03 DMS 83.81 cumene 36.4 2-octanol 73.45 2-hexanone 131.29 octyl acetate 62.22 limonene 44.32 1,2-dimethoxyethane 407.04 ethyl orthosilicate 43.43 tributyl phosphate 46.23 diacetone alcohol 249.62 N,N-dimethylaniline 79.95 acrylonitrile 166.33 aniline 140.94 1,3-propanediol 455.4 bromobenzene 81.15 dibromomethane 121.94 1,1,2,2-tetrachloroethane 299.53 2-methyl-cyclohexyl acetate 79.89 tetrabutyl urea 67.29 diisobutyl methanol 62.56 2-phenylethanol 135.3 styrene 52.07 dioctyl adipate 63.23 dimethyl sulfate 109.25 ethyl butyrate 84.82 methyl lactate 116.33 butyl lactate 99.99 diethyl carbonate 52.63 propanediol butyl ether 184.5 triethyl orthoformate 63.33 p-tert-butyltoluene 31.81 methyl 4-tert-butylbenzoate 103.43 morpholine 606.4 tert-butylamine 317.13 n-dodecanol 42.41 dimethoxymethane 395.9 ethylene carbonate 134.12 cyrene 133.78 2-ethoxyethyl acetate 128.63 2-ethylhexyl acetate 118.01 1,2,4-trichlorobenzene 97.77 4-methylpyridine 215.56 dibutyl ether 57.85 2,6-dimethyl-4-heptanol 62.56 DEF 247.95 dimethyl isosorbide 201.95 tetrachloroethylene 180.48 eugenol 117.39 triacetin 86.2 span 80 128.52 1,4-butanediol 171.32 1,1-dichloroethane 176.66 2-methyl-1-pentanol 209.36 methyl formate 182.45 2-methyl-1-butanol 303.63 n-decane 5.62 butyronitrile 182.93 3,7-dimethyl-1-octanol 82.16 1-chlorooctane 34.7 1-chlorotetradecane 13.9 n-nonane 4.66 undecane 4.42 tert-butylcyclohexane 10.29 cyclooctane 4.7 cyclopentanol 277.67 tetrahydropyran 385.47 tert-amyl methyl ether 160.54 2,5,8-trioxanonane 229.49 1-hexene 52.77 2-isopropoxyethanol 211.52 2,2,2-trifluoroethanol 67.55 methyl butyrate 132.71 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
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No restriction |