Hydroxyisohexyl 3-cyclohexene carboxaldehyde

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  • Identifiers

    CAS number
    31906-04-4

    Molecular formula
    C13H22O2

    SMILES
    CC(C)(CCCC1=CCC(CC1)C=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 88.74%
    Muguet 60.3%
    Lily 58.72%
    Fresh 54.25%
    Aldehydic 45.15%
    Woody 44.37%
    Clean 39.9%
    Sweet 38.86%
    Citrus 37.72%
    Ozone 37.41%

     

    Flavor
    Green 58.62%
    Floral 56.61%
    Herbal 41.39%
    Fresh 39.16%
    Rose 32.43%
    Waxy 31.49%
    Oily 31.12%
    Tropical 29.9%
    Fruity 29.8%
    Flower 26.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    9.46 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 142.22 ˚C est.

  • Synonyms

    • Lyral
    • 31906-04-4
    • 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde
    • 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
    • 4-(4-hydroxy-4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
    • hydroxyisohexyl 3-cyclohexene carboxaldehyde
    • 3-Cyclohexene-1-carboxaldehyde, 4-(4-hydroxy-4-methylpentyl)-
    • Liral
    • EINECS 250-863-4
    • QUE43B9Z2Q
    • BRN 2046455
    • DTXSID1027970
    • DTXCID607970
    • 4-(4-Hydroxy-4-methylpentyl)-cyclohex-3-enecarbaldehyde
    • UNII-QUE43B9Z2Q
    • 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde; 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexenecarboxaldehyde; 4-(4-Methyl-4-hydroxyamyl)cyclohex-3-ene carboxaldehyde; Landolal; Liral
    • MFCD00019423
    • SCHEMBL112060
    • CHEMBL3182066
    • Lyral pound notmixture of isomers
    • DTXSID901052281
    • BCP31112
    • GBA90604
    • Tox21_200394
    • AKOS015918009
    • FS-4825
    • HY-W035214
    • NCGC00248589-01
    • NCGC00257948-01
    • CAS-31906-04-4
    • DB-068548
    • Hydroxyisohexyl 3-cyclohexene-carboxaldehyde
    • CS-0085252
    • NS00012642
    • C74637
    • Q5955634
    • HYDROXYISOHEXYL 3-CYCLOHEXENE CARBOXALDEHYDE [INCI]
    • 4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde,mixture of isomers
    • 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde (mixture of isomers)
    • 4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde 2000 microg/mL in Methanol
    • 130066-44-3
    • Hydroxyisohexyl 3-cyclohexene carboxaldehyde;4-(4-Hydroxy-4-methylpentyl)cyclohex-3-enecarbaldehyde;4-(4-Hydroxy-4-methylpentyl)-3-cyclohexene-1-carboxaldehyde
    • Leerall

  • Applications

    Hydroxyisohexyl 3-cyclohexene carboxaldehyde (CAS 31906-04-4) is primarily used as a fragrance ingredient in perfumery, providing a green-floral aldehydic note and contributing to scent longevity; in cosmetics and personal care, it serves as a fragrance component; in household products it is used as an odorant in air fresheners and cleaners; in coatings and inks it functions as a fragrance additive to impart scent and enhance consumer experience. These uses are typical for fragrance ingredients and may be subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1481.11
    methanol 1519.58
    isopropanol 1049.18
    water 0.94
    ethyl acetate 797.0
    n-propanol 889.46
    acetone 800.55
    n-butanol 826.02
    acetonitrile 466.17
    DMF 535.81
    toluene 214.5
    isobutanol 445.66
    1,4-dioxane 1193.15
    methyl acetate 532.32
    THF 1251.5
    2-butanone 604.55
    n-pentanol 450.35
    sec-butanol 537.91
    n-hexane 49.14
    ethylene glycol 124.0
    NMP 282.99
    cyclohexane 62.89
    DMSO 593.63
    n-butyl acetate 454.29
    n-octanol 165.05
    chloroform 967.32
    n-propyl acetate 386.3
    acetic acid 578.55
    dichloromethane 608.31
    cyclohexanone 553.82
    propylene glycol 293.34
    isopropyl acetate 521.59
    DMAc 504.73
    2-ethoxyethanol 719.31
    isopentanol 607.15
    n-heptane 25.67
    ethyl formate 312.78
    1,2-dichloroethane 401.86
    n-hexanol 465.17
    2-methoxyethanol 1134.93
    isobutyl acetate 281.24
    tetrachloromethane 101.13
    n-pentyl acetate 200.57
    transcutol 2924.62
    n-heptanol 174.53
    ethylbenzene 100.3
    MIBK 375.46
    2-propoxyethanol 872.36
    tert-butanol 909.24
    MTBE 736.44
    2-butoxyethanol 389.33
    propionic acid 408.36
    o-xylene 116.09
    formic acid 223.98
    diethyl ether 875.89
    m-xylene 154.2
    p-xylene 118.99
    chlorobenzene 198.99
    dimethyl carbonate 147.17
    n-octane 9.38
    formamide 315.25
    cyclopentanone 477.58
    2-pentanone 571.12
    anisole 272.17
    cyclopentyl methyl ether 485.98
    gamma-butyrolactone 520.54
    1-methoxy-2-propanol 889.8
    pyridine 491.51
    3-pentanone 335.52
    furfural 456.88
    n-dodecane 7.64
    diethylene glycol 563.82
    diisopropyl ether 221.08
    tert-amyl alcohol 490.57
    acetylacetone 505.67
    n-hexadecane 8.84
    acetophenone 209.91
    methyl propionate 433.29
    isopentyl acetate 411.44
    trichloroethylene 734.59
    n-nonanol 145.48
    cyclohexanol 386.76
    benzyl alcohol 229.11
    2-ethylhexanol 209.85
    isooctanol 135.51
    dipropyl ether 304.32
    1,2-dichlorobenzene 179.87
    ethyl lactate 181.34
    propylene carbonate 331.26
    n-methylformamide 380.64
    2-pentanol 473.49
    n-pentane 48.69
    1-propoxy-2-propanol 590.88
    1-methoxy-2-propyl acetate 546.5
    2-(2-methoxypropoxy) propanol 399.15
    mesitylene 100.87
    ε-caprolactone 499.88
    p-cymene 69.21
    epichlorohydrin 692.34
    1,1,1-trichloroethane 389.14
    2-aminoethanol 408.46
    morpholine-4-carbaldehyde 619.81
    sulfolane 413.8
    2,2,4-trimethylpentane 24.83
    2-methyltetrahydrofuran 747.38
    n-hexyl acetate 314.33
    isooctane 25.52
    2-(2-butoxyethoxy)ethanol 673.67
    sec-butyl acetate 299.79
    tert-butyl acetate 500.25
    decalin 29.73
    glycerin 334.8
    diglyme 1091.36
    acrylic acid 266.4
    isopropyl myristate 109.25
    n-butyric acid 714.49
    acetyl acetate 353.36
    di(2-ethylhexyl) phthalate 112.69
    ethyl propionate 302.99
    nitromethane 634.81
    1,2-diethoxyethane 736.77
    benzonitrile 248.27
    trioctyl phosphate 74.8
    1-bromopropane 309.53
    gamma-valerolactone 773.32
    n-decanol 100.94
    triethyl phosphate 121.51
    4-methyl-2-pentanol 269.95
    propionitrile 408.89
    vinylene carbonate 301.8
    1,1,2-trichlorotrifluoroethane 515.11
    DMS 237.7
    cumene 75.87
    2-octanol 97.97
    2-hexanone 364.36
    octyl acetate 132.7
    limonene 103.96
    1,2-dimethoxyethane 943.61
    ethyl orthosilicate 133.04
    tributyl phosphate 110.36
    diacetone alcohol 502.76
    N,N-dimethylaniline 159.45
    acrylonitrile 365.74
    aniline 303.09
    1,3-propanediol 640.62
    bromobenzene 182.36
    dibromomethane 412.9
    1,1,2,2-tetrachloroethane 668.77
    2-methyl-cyclohexyl acetate 209.66
    tetrabutyl urea 121.9
    diisobutyl methanol 131.07
    2-phenylethanol 253.8
    styrene 127.53
    dioctyl adipate 162.6
    dimethyl sulfate 162.92
    ethyl butyrate 288.76
    methyl lactate 217.8
    butyl lactate 203.36
    diethyl carbonate 185.14
    propanediol butyl ether 400.77
    triethyl orthoformate 226.63
    p-tert-butyltoluene 73.65
    methyl 4-tert-butylbenzoate 215.32
    morpholine 1410.05
    tert-butylamine 520.42
    n-dodecanol 69.75
    dimethoxymethane 639.78
    ethylene carbonate 284.5
    cyrene 231.88
    2-ethoxyethyl acetate 361.41
    2-ethylhexyl acetate 289.88
    1,2,4-trichlorobenzene 224.53
    4-methylpyridine 430.96
    dibutyl ether 251.33
    2,6-dimethyl-4-heptanol 131.07
    DEF 447.05
    dimethyl isosorbide 493.9
    tetrachloroethylene 401.79
    eugenol 208.37
    triacetin 328.03
    span 80 307.8
    1,4-butanediol 203.55
    1,1-dichloroethane 460.76
    2-methyl-1-pentanol 321.97
    methyl formate 217.23
    2-methyl-1-butanol 446.58
    n-decane 15.38
    butyronitrile 478.82
    3,7-dimethyl-1-octanol 187.44
    1-chlorooctane 77.39
    1-chlorotetradecane 26.64
    n-nonane 14.33
    undecane 10.28
    tert-butylcyclohexane 32.82
    cyclooctane 22.25
    cyclopentanol 290.72
    tetrahydropyran 990.92
    tert-amyl methyl ether 410.11
    2,5,8-trioxanonane 677.66
    1-hexene 205.42
    2-isopropoxyethanol 468.53
    2,2,2-trifluoroethanol 130.23
    methyl butyrate 367.08

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.02 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.02 %
Category 2
Products applied to the axillae
 0.02 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.02 %
Category 3
Products applied to the face/body using fingertips
 0.1 % Category 8
Products with significant anogenital exposure
 0.067 %
Category 4
Products related to fine fragrance
 0.2 % Category 9
Products with body and hand exposure, primarily rinse off
 0.2 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.2 % Category 10A
Household care products with mostly hand contact
 0.2 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.2 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.2 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.2 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.067 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.067 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.067 %
Category 6
Products with oral and lip exposure
 0.2 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 91 %