alpha-Citronellal

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  • Identifiers

    CAS number
    141-26-4

    Molecular formula
    C10H18O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 76.2%
    Citrus 75.32%
    Green 70.54%
    Aldehydic 65.74%
    Fresh 65.02%
    Waxy 59.08%
    Fruity 58.13%
    Rose 57.58%
    Sweet 56.4%
    Lemon 47.07%

     

    Flavor
    Floral 55.99%
    Citrus 51.3%
    Green 47.98%
    Herbal 45.95%
    Waxy 45.39%
    Fresh 39.4%
    Sweet 37.24%
    Aldehydic 36.03%
    Fruity 35.78%
    Orange 33.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.91 (neutral)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 72.36 ˚C est.

  • Synonyms

    • 3,7-Dimethyloct-7-enal
    • alpha-Citronellal
    • 7-Octenal, 3,7-dimethyl-
    • 141-26-4
    • A02IC9965Z
    • EINECS 205-474-4
    • .ALPHA.-CITRONELLAL
    • DTXSID60873313
    • .ALPHA.-CITRONELLAL [MI]
    • RefChem:555450
    • DTXCID90820810
    • 205-474-4
    • 3,7-Dimethyl-7-octenal
    • UNII-A02IC9965Z
    • SCHEMBL2769174
    • NS00041414
    • Q27273446
    • 141-26-4

  • Applications

    alpha-Citronellal (CAS 141-26-4) is primarily used as a fragrance ingredient and odorant, providing fresh citrus-floral notes in perfumery. It is commonly employed in cosmetics and personal care formulations as a fragrance raw material. In household products such as cleaners and air fresheners, it contributes its characteristic aroma and scent retention. In industrial manufacturing, it serves as an intermediate for the synthesis of other aroma compounds and fragrance ingredients, supporting fragrance development within regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5751.83
    methanol 5265.01
    isopropanol 4383.59
    water 1.02
    ethyl acetate 1995.91
    n-propanol 3514.88
    acetone 2527.97
    n-butanol 3367.36
    acetonitrile 1944.67
    DMF 1355.43
    toluene 537.61
    isobutanol 2172.48
    1,4-dioxane 3501.79
    methyl acetate 1284.04
    THF 3949.99
    2-butanone 1710.26
    n-pentanol 1898.99
    sec-butanol 2476.67
    n-hexane 334.97
    ethylene glycol 453.4
    NMP 752.68
    cyclohexane 451.4
    DMSO 1368.45
    n-butyl acetate 1821.23
    n-octanol 559.41
    chloroform 2924.47
    n-propyl acetate 1068.79
    acetic acid 2126.46
    dichloromethane 2123.9
    cyclohexanone 2151.54
    propylene glycol 947.41
    isopropyl acetate 1123.05
    DMAc 685.56
    2-ethoxyethanol 1645.41
    isopentanol 2329.26
    n-heptane 273.21
    ethyl formate 1191.12
    1,2-dichloroethane 1283.96
    n-hexanol 2589.24
    2-methoxyethanol 3165.59
    isobutyl acetate 628.35
    tetrachloromethane 437.51
    n-pentyl acetate 635.43
    transcutol 4398.08
    n-heptanol 661.14
    ethylbenzene 279.02
    MIBK 822.72
    2-propoxyethanol 2539.83
    tert-butanol 3653.7
    MTBE 1897.55
    2-butoxyethanol 994.39
    propionic acid 1388.91
    o-xylene 268.82
    formic acid 541.58
    diethyl ether 2284.77
    m-xylene 393.38
    p-xylene 343.06
    chlorobenzene 655.55
    dimethyl carbonate 186.04
    n-octane 62.72
    formamide 572.3
    cyclopentanone 1619.72
    2-pentanone 1647.23
    anisole 592.47
    cyclopentyl methyl ether 1552.6
    gamma-butyrolactone 1621.98
    1-methoxy-2-propanol 2214.8
    pyridine 1689.93
    3-pentanone 725.7
    furfural 1328.82
    n-dodecane 34.15
    diethylene glycol 1278.51
    diisopropyl ether 503.17
    tert-amyl alcohol 1972.46
    acetylacetone 1113.67
    n-hexadecane 39.31
    acetophenone 439.41
    methyl propionate 875.54
    isopentyl acetate 1425.62
    trichloroethylene 2302.46
    n-nonanol 450.04
    cyclohexanol 2019.07
    benzyl alcohol 581.31
    2-ethylhexanol 1130.09
    isooctanol 472.58
    dipropyl ether 1345.31
    1,2-dichlorobenzene 469.64
    ethyl lactate 350.65
    propylene carbonate 997.54
    n-methylformamide 1038.89
    2-pentanol 1896.13
    n-pentane 305.89
    1-propoxy-2-propanol 1990.74
    1-methoxy-2-propyl acetate 1230.2
    2-(2-methoxypropoxy) propanol 657.43
    mesitylene 226.42
    ε-caprolactone 1693.05
    p-cymene 243.83
    epichlorohydrin 2106.82
    1,1,1-trichloroethane 1344.56
    2-aminoethanol 1342.82
    morpholine-4-carbaldehyde 1368.47
    sulfolane 1105.31
    2,2,4-trimethylpentane 96.09
    2-methyltetrahydrofuran 2943.98
    n-hexyl acetate 893.0
    isooctane 104.74
    2-(2-butoxyethoxy)ethanol 1117.98
    sec-butyl acetate 677.85
    tert-butyl acetate 999.05
    decalin 123.6
    glycerin 795.91
    diglyme 1960.59
    acrylic acid 837.27
    isopropyl myristate 269.7
    n-butyric acid 2960.41
    acetyl acetate 753.45
    di(2-ethylhexyl) phthalate 232.03
    ethyl propionate 698.32
    nitromethane 1932.45
    1,2-diethoxyethane 1557.1
    benzonitrile 814.45
    trioctyl phosphate 175.17
    1-bromopropane 1165.23
    gamma-valerolactone 2464.96
    n-decanol 303.91
    triethyl phosphate 259.06
    4-methyl-2-pentanol 818.68
    propionitrile 1445.33
    vinylene carbonate 847.45
    1,1,2-trichlorotrifluoroethane 1208.95
    DMS 398.04
    cumene 189.3
    2-octanol 400.83
    2-hexanone 1150.86
    octyl acetate 332.13
    limonene 481.46
    1,2-dimethoxyethane 2413.32
    ethyl orthosilicate 293.44
    tributyl phosphate 247.89
    diacetone alcohol 1064.47
    N,N-dimethylaniline 305.94
    acrylonitrile 1226.65
    aniline 865.91
    1,3-propanediol 2194.16
    bromobenzene 594.12
    dibromomethane 1550.77
    1,1,2,2-tetrachloroethane 1684.38
    2-methyl-cyclohexyl acetate 595.79
    tetrabutyl urea 270.3
    diisobutyl methanol 591.2
    2-phenylethanol 760.35
    styrene 367.48
    dioctyl adipate 367.58
    dimethyl sulfate 196.67
    ethyl butyrate 995.56
    methyl lactate 393.45
    butyl lactate 489.9
    diethyl carbonate 515.26
    propanediol butyl ether 844.63
    triethyl orthoformate 629.96
    p-tert-butyltoluene 238.46
    methyl 4-tert-butylbenzoate 381.84
    morpholine 4611.94
    tert-butylamine 2216.25
    n-dodecanol 216.47
    dimethoxymethane 1055.88
    ethylene carbonate 837.55
    cyrene 411.46
    2-ethoxyethyl acetate 784.58
    2-ethylhexyl acetate 969.63
    1,2,4-trichlorobenzene 534.74
    4-methylpyridine 1552.26
    dibutyl ether 841.49
    2,6-dimethyl-4-heptanol 591.2
    DEF 1091.66
    dimethyl isosorbide 953.31
    tetrachloroethylene 1107.79
    eugenol 406.43
    triacetin 562.66
    span 80 674.48
    1,4-butanediol 590.95
    1,1-dichloroethane 1782.06
    2-methyl-1-pentanol 1167.2
    methyl formate 619.04
    2-methyl-1-butanol 1734.79
    n-decane 72.9
    butyronitrile 2273.8
    3,7-dimethyl-1-octanol 594.45
    1-chlorooctane 287.29
    1-chlorotetradecane 90.84
    n-nonane 79.75
    undecane 47.18
    tert-butylcyclohexane 133.94
    cyclooctane 104.96
    cyclopentanol 1737.78
    tetrahydropyran 4183.88
    tert-amyl methyl ether 991.39
    2,5,8-trioxanonane 1042.82
    1-hexene 1176.24
    2-isopropoxyethanol 1011.35
    2,2,2-trifluoroethanol 348.42
    methyl butyrate 1074.82

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
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