Tangerinal

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  • Identifiers

    CAS number
    21944-98-9

    Molecular formula
    C12H22O

    SMILES
    CCCCCCC/C=C\CCC=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Citrus 79.05%
    Fatty 70.64%
    Waxy 67.59%
    Aldehydic 61.95%
    Fruity 58.7%
    Orange 56.67%
    Floral 55.62%
    Green 51.7%
    Fresh 51.37%
    Cucumber 39.97%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    182.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point est.
    112.28 ˚C

    Solubility expt.

    • Soluble in fats and non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • (Z)-4-Dodecenal
    • 4-Dodecenal, (4Z)-
    • (Z)-dodec-4-enal
    • 21944-98-9
    • Tangerinal
    • IJA6BV46A7
    • UNII-IJA6BV46A7
    • 4-DODECENAL, CIS-
    • 4-DODECENAL, (Z)-
    • FEMA NO. 4036
    • DTXSID30885185
    • Tangerinal 2
    • 4-dodecenal, Z
    • 30390-51-3
    • SCHEMBL229645
    • CHEBI:172439
    • MMCDSVCBSAMNPL-UHFFFAOYSA-N
    • (Z)-4-DODECENAL [FHFI]
    • DTXCID301024579
    • Q27280754
    • Tangelal

  • Applications

    Cis-4-Dodecenal (CAS 21944-98-9) is a long-chain aldehyde with a characteristic citrus-herbal scent reminiscent of grapefruit peel and coriander, widely used as a fragrance ingredient in fine perfumes, soaps, detergents, cosmetics and scented candles; in the food industry it contributes bright citrus and cilantro-like top notes to alcoholic beverages, confectionery, dairy products and dry spice blends; the compound is also investigated as a semiochemical for insect attraction, as a reference standard for trace-flavor analysis, and as a benchmark molecule in quality control and sensory research aimed at recreating the signature aroma of herbs and tropical fruits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3040.27
    methanol 2305.69
    isopropanol 3076.53
    water 0.01
    ethyl acetate 3859.32
    n-propanol 2776.74
    acetone 4780.27
    n-butanol 2779.46
    acetonitrile 1848.7
    DMF 1828.59
    toluene 1254.07
    isobutanol 1912.02
    1,4-dioxane 3383.37
    methyl acetate 1904.95
    THF 6331.23
    2-butanone 3890.03
    n-pentanol 1994.6
    sec-butanol 2553.55
    n-hexane 1793.36
    ethylene glycol 127.48
    NMP 1289.88
    cyclohexane 1782.65
    DMSO 3777.23
    n-butyl acetate 3303.06
    n-octanol 601.33
    chloroform 3893.32
    n-propyl acetate 2767.14
    acetic acid 917.78
    dichloromethane 4738.38
    cyclohexanone 4203.24
    propylene glycol 352.98
    isopropyl acetate 2295.17
    DMAc 1138.05
    2-ethoxyethanol 1687.43
    isopentanol 2470.37
    n-heptane 749.28
    ethyl formate 1052.59
    1,2-dichloroethane 4135.01
    n-hexanol 2203.52
    2-methoxyethanol 2492.28
    isobutyl acetate 1416.78
    tetrachloromethane 803.39
    n-pentyl acetate 1416.05
    transcutol 6073.69
    n-heptanol 649.38
    ethylbenzene 690.22
    MIBK 2011.12
    2-propoxyethanol 2387.76
    tert-butanol 3326.57
    MTBE 4011.09
    2-butoxyethanol 1061.65
    propionic acid 1000.82
    o-xylene 574.96
    formic acid 112.36
    diethyl ether 6058.79
    m-xylene 761.64
    p-xylene 714.72
    chlorobenzene 1198.6
    dimethyl carbonate 296.98
    n-octane 189.37
    formamide 225.71
    cyclopentanone 3355.28
    2-pentanone 4135.01
    anisole 1003.69
    cyclopentyl methyl ether 3764.91
    gamma-butyrolactone 2463.92
    1-methoxy-2-propanol 2353.84
    pyridine 2677.87
    3-pentanone 2212.56
    furfural 1448.56
    n-dodecane 76.64
    diethylene glycol 825.61
    diisopropyl ether 1528.13
    tert-amyl alcohol 2315.38
    acetylacetone 2206.97
    n-hexadecane 92.07
    acetophenone 822.34
    methyl propionate 1861.74
    isopentyl acetate 2535.8
    trichloroethylene 4494.34
    n-nonanol 530.04
    cyclohexanol 2336.89
    benzyl alcohol 748.4
    2-ethylhexanol 1479.76
    isooctanol 617.34
    dipropyl ether 3358.84
    1,2-dichlorobenzene 965.29
    ethyl lactate 492.36
    propylene carbonate 1248.71
    n-methylformamide 822.2
    2-pentanol 2325.83
    n-pentane 1042.63
    1-propoxy-2-propanol 2258.22
    1-methoxy-2-propyl acetate 1890.97
    2-(2-methoxypropoxy) propanol 773.99
    mesitylene 505.85
    ε-caprolactone 2640.34
    p-cymene 420.22
    epichlorohydrin 3719.3
    1,1,1-trichloroethane 3127.83
    2-aminoethanol 515.38
    morpholine-4-carbaldehyde 1580.66
    sulfolane 2501.68
    2,2,4-trimethylpentane 250.19
    2-methyltetrahydrofuran 5830.04
    n-hexyl acetate 1535.42
    isooctane 250.71
    2-(2-butoxyethoxy)ethanol 1225.82
    sec-butyl acetate 1673.01
    tert-butyl acetate 2141.07
    decalin 436.14
    glycerin 322.31
    diglyme 2425.94
    acrylic acid 495.89
    isopropyl myristate 508.08
    n-butyric acid 2517.34
    acetyl acetate 1100.53
    di(2-ethylhexyl) phthalate 298.38
    ethyl propionate 1951.5
    nitromethane 1532.53
    1,2-diethoxyethane 3714.69
    benzonitrile 1022.61
    trioctyl phosphate 254.43
    1-bromopropane 4222.07
    gamma-valerolactone 3171.42
    n-decanol 369.52
    triethyl phosphate 485.13
    4-methyl-2-pentanol 1070.32
    propionitrile 2042.32
    vinylene carbonate 890.9
    1,1,2-trichlorotrifluoroethane 1579.05
    DMS 666.13
    cumene 404.34
    2-octanol 493.25
    2-hexanone 2890.18
    octyl acetate 558.37
    limonene 927.2
    1,2-dimethoxyethane 3476.68
    ethyl orthosilicate 540.7
    tributyl phosphate 378.89
    diacetone alcohol 1627.26
    N,N-dimethylaniline 586.5
    acrylonitrile 1495.0
    aniline 1167.11
    1,3-propanediol 993.16
    bromobenzene 1428.22
    dibromomethane 4065.87
    1,1,2,2-tetrachloroethane 3642.71
    2-methyl-cyclohexyl acetate 1012.65
    tetrabutyl urea 454.55
    diisobutyl methanol 832.63
    2-phenylethanol 850.22
    styrene 920.94
    dioctyl adipate 630.61
    dimethyl sulfate 418.82
    ethyl butyrate 2129.72
    methyl lactate 422.86
    butyl lactate 722.57
    diethyl carbonate 882.73
    propanediol butyl ether 712.67
    triethyl orthoformate 1119.14
    p-tert-butyltoluene 403.81
    methyl 4-tert-butylbenzoate 571.91
    morpholine 4969.11
    tert-butylamine 2547.49
    n-dodecanol 272.3
    dimethoxymethane 2017.4
    ethylene carbonate 902.88
    cyrene 512.01
    2-ethoxyethyl acetate 1476.74
    2-ethylhexyl acetate 1943.54
    1,2,4-trichlorobenzene 971.3
    4-methylpyridine 2571.95
    dibutyl ether 2251.85
    2,6-dimethyl-4-heptanol 832.63
    DEF 2772.59
    dimethyl isosorbide 1270.04
    tetrachloroethylene 2382.13
    eugenol 512.28
    triacetin 873.71
    span 80 739.13
    1,4-butanediol 347.01
    1,1-dichloroethane 4318.04
    2-methyl-1-pentanol 1594.33
    methyl formate 442.74
    2-methyl-1-butanol 2010.74
    n-decane 180.5
    butyronitrile 2865.15
    3,7-dimethyl-1-octanol 771.75
    1-chlorooctane 665.95
    1-chlorotetradecane 192.46
    n-nonane 221.77
    undecane 109.48
    tert-butylcyclohexane 394.68
    cyclooctane 467.59
    cyclopentanol 1846.19
    tetrahydropyran 7275.62
    tert-amyl methyl ether 2337.16
    2,5,8-trioxanonane 1308.18
    1-hexene 3962.23
    2-isopropoxyethanol 1336.65
    2,2,2-trifluoroethanol 149.63
    methyl butyrate 2594.69

    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