Hydroxycitronellal

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  • Identifiers

    CAS number
    107-75-5

    Molecular formula
    C10H20O2

    SMILES
    CC(CCCC(C)(C)O)CC=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1285.0
    • Carbowax: 1882.0

  • Odor profile

    Floral 90.07%
    Green 71.41%
    Sweet 67.51%
    Lily 64.28%
    Fresh 62.55%
    Citrus 58.41%
    Rose 54.76%
    Muguet 54.28%
    Waxy 47.21%
    Aldehydic 45.21%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 241.00 °C. @ 760.00 mm Hg

    Flash point est.
    104.94 ˚C

    Solubility expt.

    • slightly
    • slightly soluble in water; soluble in alcohol, propylene glycol, and oils; insoluble in glycerol
    • 1 ml in 1 ml 50% alcohol (in ethanol)

  • Synonyms

    • Hydroxycitronellal
    • 107-75-5
    • 7-Hydroxy-3,7-dimethyloctanal
    • 7-Hydroxycitronellal
    • Citronellal hydrate
    • 3,7-Dimethyl-7-hydroxyoctanal
    • Phixia
    • Cyclalia
    • Cyclosia
    • Laurine
    • Fixol
    • Lilyl aldehyde
    • Muguet synthetic
    • Muguettine principle
    • Musuet synthetic
    • Octanal, 7-hydroxy-3,7-dimethyl-
    • hydroxy citronellal
    • Musuettine principle
    • Citronellal, hydroxy-
    • Oxydihydrocitronellal
    • 7-Hydroxy-3,7-dimethyloctan-1-al
    • FEMA No. 2583
    • 1-OCTANAL, 3,7-DIMETHYL-7-HYDROXY-
    • NSC 406740
    • CHEBI:53459
    • UNII-8SQ0VA4YUR
    • 8SQ0VA4YUR
    • 3,7-dimethyl-7-hydroxyoctan-1-al
    • EINECS 203-518-7
    • BRN 1721290
    • 7-Hydroxy-3,7-dimethyloctanol
    • DTXSID6042232
    • AI3-05823
    • Octanol, 7-hydroxy-3,7-dimethyl-
    • MFCD00014681
    • NSC-406740
    • HYDROXYCITRONELLAL [FCC]
    • DTXCID4022232
    • FEMA 2583
    • HYDROXYCITRONELLAL [FHFI]
    • EC 203-518-7
    • 4-01-00-04058 (Beilstein Handbook Reference)
    • 3,7-DIMETHYL-7-HYDROXY-OCTANAL
    • NCGC00181031-01
    • CAS-107-75-5
    • Citronellaldehyde
    • 7Hydroxycitronellal
    • Oxdihydrocitronellal
    • Citronellal, hydroxy
    • Octanal,7-dimethyl-
    • Citronellal hydric acid
    • 3,7Dimethyl7hydroxyoctanal
    • 7Hydroxy3,7dimethyloctanal
    • Epitope ID:114090
    • 7Hydroxy3,7dimethyloctan1al
    • SCHEMBL94185
    • Octanal, 7hydroxy3,7dimethyl
    • 1Octanal, 3,7dimethyl7hydroxy
    • GTPL2468
    • CHEMBL3186027
    • HYDROXYCITRONELLAL [INCI]
    • WLN: VH1Y1&3XQ1&1
    • 1-Octanal,7-dimethyl-7-hydroxy-
    • Tox21_112681
    • Tox21_301174
    • NSC163509
    • NSC406740
    • 7-hydroxy-3,7-dimethyl-caprylaldehyde
    • AKOS015901699
    • Hydroxycitronellal, analytical standard
    • DB14187
    • FC29224
    • NSC-163509
    • Hydroxycitronellal, >=95%, FCC, FG
    • NCGC00181031-02
    • NCGC00181031-03
    • NCGC00255072-01
    • AS-59723
    • SY011300
    • NS00005856
    • D70299
    • SBI-0654026.0001
    • EN300-24500676
    • SR-01000944842
    • 7-Hydroxy-3,7-dimethyloctanal,;7-Hydroxycitronellal
    • SR-01000944842-1
    • 7-Hydroxycitronellal, Odorant used in allergy studies
    • Q25100775

  • Applications

    Hydroxycitronellal (CAS 107-75-5) is a floral aldehyde with a soft, sweet lily-of-the-valley note that ranks among the most versatile fragrance ingredients; it is widely incorporated to build fresh green-floral bases in fine perfumery, deodorants, shower gels, shampoos, skin creams, color cosmetics, bar soaps, household detergents, fabric softener sheets, scented candles and reed diffusers, and it also serves as an intermediate for composing muguet, cyclamen and other modern accords, extending scent longevity and masking undesirable chemical odors; despite its high olfactive value, Hydroxycitronellal is classified as a potential skin sensitizer, so its dosage must comply with current IFRA concentration limits, and formulators routinely perform stability, patch and HRIPT tests to ensure consumer safety before commercialization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1618.89
    methanol 2371.88
    isopropanol 1133.14
    water 8.13
    ethyl acetate 369.96
    n-propanol 868.59
    acetone 538.58
    n-butanol 834.9
    acetonitrile 311.02
    DMF 551.89
    toluene 97.53
    isobutanol 569.26
    1,4-dioxane 925.99
    methyl acetate 307.01
    THF 1342.5
    2-butanone 312.18
    n-pentanol 461.28
    sec-butanol 600.2
    n-hexane 65.41
    ethylene glycol 332.54
    NMP 399.16
    cyclohexane 85.77
    DMSO 489.72
    n-butyl acetate 369.21
    n-octanol 302.92
    chloroform 569.73
    n-propyl acetate 242.05
    acetic acid 862.15
    dichloromethane 323.57
    cyclohexanone 536.52
    propylene glycol 658.03
    isopropyl acetate 273.19
    DMAc 347.59
    2-ethoxyethanol 584.54
    isopentanol 589.58
    n-heptane 66.85
    ethyl formate 293.44
    1,2-dichloroethane 189.08
    n-hexanol 771.78
    2-methoxyethanol 1171.94
    isobutyl acetate 205.99
    tetrachloromethane 96.79
    n-pentyl acetate 191.64
    transcutol 1560.74
    n-heptanol 284.11
    ethylbenzene 69.55
    MIBK 232.33
    2-propoxyethanol 937.99
    tert-butanol 1180.17
    MTBE 443.02
    2-butoxyethanol 449.7
    propionic acid 551.37
    o-xylene 83.89
    formic acid 394.64
    diethyl ether 359.65
    m-xylene 99.36
    p-xylene 102.11
    chlorobenzene 136.32
    dimethyl carbonate 80.91
    n-octane 23.06
    formamide 268.31
    cyclopentanone 524.54
    2-pentanone 322.63
    anisole 192.66
    cyclopentyl methyl ether 421.34
    gamma-butyrolactone 554.78
    1-methoxy-2-propanol 874.94
    pyridine 295.12
    3-pentanone 171.03
    furfural 461.43
    n-dodecane 19.11
    diethylene glycol 657.73
    diisopropyl ether 123.21
    tert-amyl alcohol 599.28
    acetylacetone 315.27
    n-hexadecane 20.71
    acetophenone 160.22
    methyl propionate 236.68
    isopentyl acetate 345.63
    trichloroethylene 377.48
    n-nonanol 241.51
    cyclohexanol 576.14
    benzyl alcohol 199.56
    2-ethylhexanol 339.5
    isooctanol 206.59
    dipropyl ether 294.43
    1,2-dichlorobenzene 127.59
    ethyl lactate 169.15
    propylene carbonate 364.01
    n-methylformamide 373.23
    2-pentanol 449.19
    n-pentane 55.21
    1-propoxy-2-propanol 687.67
    1-methoxy-2-propyl acetate 390.93
    2-(2-methoxypropoxy) propanol 354.89
    mesitylene 78.99
    ε-caprolactone 498.66
    p-cymene 83.49
    epichlorohydrin 512.22
    1,1,1-trichloroethane 241.83
    2-aminoethanol 730.52
    morpholine-4-carbaldehyde 667.51
    sulfolane 489.95
    2,2,4-trimethylpentane 35.16
    2-methyltetrahydrofuran 695.38
    n-hexyl acetate 349.77
    isooctane 36.31
    2-(2-butoxyethoxy)ethanol 581.71
    sec-butyl acetate 179.74
    tert-butyl acetate 317.87
    decalin 39.46
    glycerin 686.54
    diglyme 784.82
    acrylic acid 361.92
    isopropyl myristate 122.43
    n-butyric acid 801.98
    acetyl acetate 219.01
    di(2-ethylhexyl) phthalate 131.29
    ethyl propionate 188.65
    nitromethane 579.32
    1,2-diethoxyethane 386.92
    benzonitrile 224.57
    trioctyl phosphate 104.57
    1-bromopropane 157.72
    gamma-valerolactone 841.92
    n-decanol 172.73
    triethyl phosphate 108.26
    4-methyl-2-pentanol 275.53
    propionitrile 295.21
    vinylene carbonate 308.38
    1,1,2-trichlorotrifluoroethane 498.65
    DMS 162.96
    cumene 66.94
    2-octanol 183.98
    2-hexanone 253.74
    octyl acetate 157.77
    limonene 143.78
    1,2-dimethoxyethane 725.3
    ethyl orthosilicate 118.85
    tributyl phosphate 128.03
    diacetone alcohol 441.56
    N,N-dimethylaniline 131.12
    acrylonitrile 258.84
    aniline 216.57
    1,3-propanediol 886.44
    bromobenzene 114.24
    dibromomethane 232.6
    1,1,2,2-tetrachloroethane 367.97
    2-methyl-cyclohexyl acetate 221.91
    tetrabutyl urea 151.7
    diisobutyl methanol 182.75
    2-phenylethanol 268.67
    styrene 78.36
    dioctyl adipate 174.9
    dimethyl sulfate 109.13
    ethyl butyrate 247.77
    methyl lactate 216.42
    butyl lactate 226.7
    diethyl carbonate 147.44
    propanediol butyl ether 534.46
    triethyl orthoformate 200.42
    p-tert-butyltoluene 90.12
    methyl 4-tert-butylbenzoate 209.54
    morpholine 1150.1
    tert-butylamine 638.61
    n-dodecanol 127.07
    dimethoxymethane 377.4
    ethylene carbonate 295.6
    cyrene 266.37
    2-ethoxyethyl acetate 238.05
    2-ethylhexyl acetate 250.49
    1,2,4-trichlorobenzene 166.12
    4-methylpyridine 301.78
    dibutyl ether 238.78
    2,6-dimethyl-4-heptanol 182.75
    DEF 293.22
    dimethyl isosorbide 496.07
    tetrachloroethylene 249.45
    eugenol 219.8
    triacetin 273.48
    span 80 391.54
    1,4-butanediol 311.82
    1,1-dichloroethane 258.11
    2-methyl-1-pentanol 330.29
    methyl formate 254.05
    2-methyl-1-butanol 440.56
    n-decane 34.28
    butyronitrile 395.82
    3,7-dimethyl-1-octanol 263.33
    1-chlorooctane 110.75
    1-chlorotetradecane 44.02
    n-nonane 34.55
    undecane 24.59
    tert-butylcyclohexane 46.99
    cyclooctane 29.74
    cyclopentanol 598.25
    tetrahydropyran 808.8
    tert-amyl methyl ether 283.45
    2,5,8-trioxanonane 532.68
    1-hexene 189.08
    2-isopropoxyethanol 379.1
    2,2,2-trifluoroethanol 198.57
    methyl butyrate 256.31

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.38 % Category 7A
Rinse-off products applied to the hair with some hand contact
 1.6 %
Category 2
Products applied to the axillae
 0.11 % Category 7B
Leave-on products applied to the hair with some hand contact
 1.6 %
Category 3
Products applied to the face/body using fingertips
 2.3 % Category 8
Products with significant anogenital exposure
 0.18 %
Category 4
Products related to fine fragrance
 2.1 % Category 9
Products with body and hand exposure, primarily rinse off
 4.1 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.53 % Category 10A
Household care products with mostly hand contact
 0.78 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.53 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 7.8 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.53 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.18 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.18 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.18 %
Category 6
Products with oral and lip exposure
 1.2 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Cardamom, large (Nepalese) (India) 2 Amomum subulatum Roxb., fam. Zingiberaceae 0.12%
Cardamom, large (Nepalese) (India) 3 Amomum subulatum Roxb., fam. Zingiberaceae 0.1%