cis-beta-Sinensal

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  • Identifiers

    CAS number
    17909-87-4

    Molecular formula
    C15H22O

    SMILES
    C/C(=C/CCC(=C)C=C)/CC/C=C(\C)/C=O

    Retention indicies (RI)

    • DB5: 1688.2
    • Carbowax: 2229.33

  • Odor profile

    Fruity 69.27%
    Citrus 66.6%
    Fresh 57.44%
    Sweet 53.69%
    Green 52.67%
    Waxy 51.69%
    Floral 49.99%
    Aldehydic 48.97%
    Woody 41.96%
    Fatty 37.97%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point est.
    127.81 ˚C

  • Synonyms

    • cis-beta-Sinensal
    • UNII-Z4BF9PGR97
    • Z4BF9PGR97
    • 17909-87-4
    • beta-Sinensal, cis-
    • FEMA No. 3141, 2E,6Z-
    • CIS-.BETA.-SINENSAL
    • (2E,6Z)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal
    • 2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-, (E,Z)-
    • 2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-, (2E,6Z)-
    • DTXSID10170768
    • .BETA.-SINENSAL, (2E,6Z)-
    • FEMA NO. 3141, (2E,6Z)-
    • (2E,6Z)-beta-sinensal
    • .BETA.-SINENSAL, CIS-
    • DTXCID6093259
    • BETA-SINENSAL, (2E,6Z)-
    • Q27294982

  • Applications

    cis-β-Sinensal (CAS 17909-87-4) is a naturally occurring orange-scented aldehyde from citrus peel oil used mainly as a flavor and fragrance ingredient: in foods and beverages it boosts and naturalizes orange/mandarin/tangerine notes for soft drinks, candies, dairy, and baked goods at micro-ppm levels; in fine and functional fragrances it builds bright citrus top notes with a sweet peel, slightly waxy nuance for colognes, body mists, soaps, shampoos, cleaners, candles, and air care, and it can help mask base off-notes; it is also employed as a GC–MS/HPLC reference standard for quality control, authenticity verification of citrus oils, and aroma recombination/sensory research; as a reactive aldehyde it should be stored cool and protected from light, oxygen, and metals with tight packaging (inert gas if possible), with attention to pH and formulation compatibility, and used in compliance with applicable flavor regulations and IFRA guidelines.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 436.39
    methanol 329.63
    isopropanol 261.89
    water 0.03
    ethyl acetate 749.8
    n-propanol 345.07
    acetone 140.8
    n-butanol 367.45
    acetonitrile 209.81
    DMF 90.98
    toluene 384.87
    isobutanol 178.05
    1,4-dioxane 829.26
    methyl acetate 320.39
    THF 781.26
    2-butanone 409.73
    n-pentanol 323.24
    sec-butanol 347.47
    n-hexane 71.81
    ethylene glycol 12.23
    NMP 87.09
    cyclohexane 85.42
    DMSO 136.4
    n-butyl acetate 514.4
    n-octanol 68.26
    chloroform 910.01
    n-propyl acetate 377.98
    acetic acid 111.9
    dichloromethane 801.22
    cyclohexanone 365.48
    propylene glycol 49.5
    isopropyl acetate 407.49
    DMAc 221.71
    2-ethoxyethanol 387.0
    isopentanol 298.08
    n-heptane 35.08
    ethyl formate 158.49
    1,2-dichloroethane 557.61
    n-hexanol 323.05
    2-methoxyethanol 407.88
    isobutyl acetate 225.26
    tetrachloromethane 93.56
    n-pentyl acetate 193.59
    transcutol 1963.41
    n-heptanol 93.21
    ethylbenzene 210.98
    MIBK 256.22
    2-propoxyethanol 412.56
    tert-butanol 303.4
    MTBE 585.28
    2-butoxyethanol 191.43
    propionic acid 113.5
    o-xylene 175.02
    formic acid 29.54
    diethyl ether 1023.0
    m-xylene 232.38
    p-xylene 185.63
    chlorobenzene 239.35
    dimethyl carbonate 52.35
    n-octane 9.59
    formamide 58.75
    cyclopentanone 215.58
    2-pentanone 394.6
    anisole 383.41
    cyclopentyl methyl ether 391.91
    gamma-butyrolactone 219.22
    1-methoxy-2-propanol 323.63
    pyridine 604.14
    3-pentanone 275.92
    furfural 265.73
    n-dodecane 5.14
    diethylene glycol 147.26
    diisopropyl ether 208.14
    tert-amyl alcohol 345.7
    acetylacetone 258.87
    n-hexadecane 6.14
    acetophenone 248.78
    methyl propionate 256.3
    isopentyl acetate 449.74
    trichloroethylene 835.46
    n-nonanol 69.26
    cyclohexanol 225.84
    benzyl alcohol 207.27
    2-ethylhexanol 207.36
    isooctanol 87.21
    dipropyl ether 407.6
    1,2-dichlorobenzene 213.65
    ethyl lactate 92.4
    propylene carbonate 164.46
    n-methylformamide 78.04
    2-pentanol 300.39
    n-pentane 50.03
    1-propoxy-2-propanol 377.15
    1-methoxy-2-propyl acetate 450.96
    2-(2-methoxypropoxy) propanol 265.93
    mesitylene 125.2
    ε-caprolactone 382.99
    p-cymene 97.73
    epichlorohydrin 596.42
    1,1,1-trichloroethane 409.74
    2-aminoethanol 68.47
    morpholine-4-carbaldehyde 253.8
    sulfolane 165.63
    2,2,4-trimethylpentane 32.1
    2-methyltetrahydrofuran 750.43
    n-hexyl acetate 227.68
    isooctane 25.67
    2-(2-butoxyethoxy)ethanol 363.58
    sec-butyl acetate 346.38
    tert-butyl acetate 395.43
    decalin 46.01
    glycerin 51.71
    diglyme 710.91
    acrylic acid 60.21
    isopropyl myristate 90.38
    n-butyric acid 295.16
    acetyl acetate 226.9
    di(2-ethylhexyl) phthalate 78.86
    ethyl propionate 320.91
    nitromethane 170.51
    1,2-diethoxyethane 871.48
    benzonitrile 203.56
    trioctyl phosphate 42.65
    1-bromopropane 492.89
    gamma-valerolactone 412.77
    n-decanol 48.52
    triethyl phosphate 124.69
    4-methyl-2-pentanol 152.76
    propionitrile 240.32
    vinylene carbonate 138.47
    1,1,2-trichlorotrifluoroethane 205.57
    DMS 149.09
    cumene 122.37
    2-octanol 56.73
    2-hexanone 381.29
    octyl acetate 94.11
    limonene 150.42
    1,2-dimethoxyethane 723.29
    ethyl orthosilicate 149.87
    tributyl phosphate 67.8
    diacetone alcohol 271.5
    N,N-dimethylaniline 214.65
    acrylonitrile 179.74
    aniline 254.07
    1,3-propanediol 153.79
    bromobenzene 277.28
    dibromomethane 582.6
    1,1,2,2-tetrachloroethane 677.99
    2-methyl-cyclohexyl acetate 241.56
    tetrabutyl urea 82.14
    diisobutyl methanol 126.54
    2-phenylethanol 231.72
    styrene 249.57
    dioctyl adipate 134.76
    dimethyl sulfate 55.02
    ethyl butyrate 422.1
    methyl lactate 66.05
    butyl lactate 119.06
    diethyl carbonate 215.98
    propanediol butyl ether 132.84
    triethyl orthoformate 274.4
    p-tert-butyltoluene 93.81
    methyl 4-tert-butylbenzoate 171.09
    morpholine 1052.89
    tert-butylamine 226.59
    n-dodecanol 35.41
    dimethoxymethane 237.24
    ethylene carbonate 128.94
    cyrene 145.96
    2-ethoxyethyl acetate 331.7
    2-ethylhexyl acetate 357.35
    1,2,4-trichlorobenzene 239.59
    4-methylpyridine 517.59
    dibutyl ether 240.9
    2,6-dimethyl-4-heptanol 126.54
    DEF 323.53
    dimethyl isosorbide 439.59
    tetrachloroethylene 372.22
    eugenol 162.06
    triacetin 198.76
    span 80 177.8
    1,4-butanediol 54.78
    1,1-dichloroethane 474.61
    2-methyl-1-pentanol 299.55
    methyl formate 42.98
    2-methyl-1-butanol 270.12
    n-decane 10.98
    butyronitrile 351.21
    3,7-dimethyl-1-octanol 119.91
    1-chlorooctane 64.85
    1-chlorotetradecane 21.45
    n-nonane 10.65
    undecane 7.02
    tert-butylcyclohexane 46.66
    cyclooctane 29.89
    cyclopentanol 119.34
    tetrahydropyran 1113.09
    tert-amyl methyl ether 449.08
    2,5,8-trioxanonane 470.59
    1-hexene 317.46
    2-isopropoxyethanol 275.68
    2,2,2-trifluoroethanol 20.18
    methyl butyrate 380.95

    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

Botanical

Name CAS Botanical Proportion
Grapefruit (Israel) 2 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Grapefruit (Israel) 1 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Orange leaf, sweet (North Africa) 2 Citrus sinensis (L.) Osbeck, cultivar Sanguine, fam. Rutaceae 1.3%
Orange leaf, sweet (North Africa) 1 Citrus sinensis (L.) Osbeck, cultivar Portuguese, fam. Rutaceae 0.46%
Orange, sweet (USA-Florida) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Midseason, fam. Rutaceae 0.02%
Orange, sweet (USA-Florida) 4 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.04%
Orange, sweet (Israel) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.04%
Orange, sweet (Israel) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Shamouti, fam. Rutaceae 0.06%
Orange, sweet (Italy) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.02%
Orange, sweet (Spain) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Orange, sweet (USA-California) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.05%
Orange, sweet (USA-Florida) 5 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.04%
Orange, sweet (USA-Florida) 6 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 1.22%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.43%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 2.35%
Mandarin leaf (Petitgrain mandarin.) (Israel) 3 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.41%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 2.98%
Mandarin leaf (Petitgrain mandarin.) (Israel) 5 Citrus reticulata Blanco, cultivar Clementine, Rutaceae 2.11%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 1.52%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 1.6%
Orange, sweet, deterpenized 8008-57-9 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.9%
Orange, sweet (Italy) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Orange, sweet (China) 2 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Orange, sweet (Algeria) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia, fam. Rutaceae 0.09%
Orange, sweet (Italy) 5 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.02%
Lemon (Italy-Sicily) 9 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.03%
Clementine (Italy) 2 Citrus clementina Hort. ex Tan., (C. deliciosa Ten. var. Clementina) 0.02%
Clementine x Lemon (Italy) 1 Citrus clementina Hort. ex Tan. x Citrus limon (L.) Burm., fam. Rutaceae 0.07%
Orange, sweet (USA) (hydrocarbon-free) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.31%
Orange leaf, sweet (Mauritius) Citrus sinensis (L.) Osbeck, fam. Rutaceae 1.14%
Mandarin 3 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.2%
Naoshichi (Japan) Citrus taguma-sudachi Hort. ex Tanaka, fam. Rutaceae 0.02%
Orange leaf, sweet (Italy) 1 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.75%
Orange leaf, sweet (Italy) 2a Valencia Late Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 1.38%
Orange leaf, sweet (Italy) 2b Biondo Comune Citrus sinensis (L.) Osbeck, cultivar Biondo Comune, fam. Rutaceae 1.27%
Orange leaf, sweet (Italy) 2c Moro Citrus sinensis (L.) Osbeck, cultivar Moro, fam. Rutaceae 1.44%
Clementine (Italy) 3a Citrus clementina Hort. ex Tan., cultivar Oroval, fam. Rutaceae 0.06%
Clementine (Italy) 3b Citrus clementina Hort. ex Tan., cultivar Monreal, fam. Rutaceae 0.03%
Clementine (Italy) 3c Citrus clementina Hort. ex Tan., cultivar Comune, fam. Rutaceae 0.16%
Grapefruit (Italy) 4a 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.04%
Grapefruit (Italy) 4b 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.14%
Grapefruit (Italy) 4c 8016-20-4 Citrus paradisi MacFayden, fam. Rutaceae 0.25%
Clementine (Uruguay) 1a Citrus clementina Hort. ex Tan., cultivar Nules, fam. Rutaceae 0.06%
Clementine (Uruguay) 1b Citrus clementina Hort. ex Tan., cultivar Comune, fam. Rutaceae 0.05%
Yuzu (Japan) 4 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Clementine (Italy) 4 Citrus clementina Hort. ex Tan., fam. Rutaceae 0.04%
Mandarin (Spain) 2 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.1%
Mandarin (Uruguay) 3 8008-31-9 Citrus deliciosa Tenore cv. Nova (C. reticulata Blanco), fam. Rutaceae 0.01%
Orange, sweet (Italy) 6a Biondo Comune 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Biondo Comune, fam. Rutaceae 0.04%