Hydroxycitronellal

  • 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

    Fragrance
    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%

     

    Flavor
    Green 82.34%
    Floral 77.81%
    Waxy 60.5%
    Sweet 57.07%
    Lily 46.45%
    Citrus 46.26%
    Fresh 42.37%
    Tropical 41.0%
    Rose 40.36%
    Oily 39.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.43 (weak base)

    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

    • 104.94 ˚C est.

    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 is a fragrance ingredient widely used in perfumery to provide floral notes. It is commonly formulated into cosmetics and personal care products to impart a delicate scent. It is also used in household cleaning products, detergents, and air fresheners to deliver a pleasant fragrance. Its role is as an odorant and aroma component in consumer formulations, with use subject to local regulations and formulation limits.

  • 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 of 4
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
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%