alpha-Sinensal

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  • Identifiers

    CAS number
    17909-77-2

    Molecular formula
    C15H22O

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

    Retention indicies (RI)

    • DB5: 1751.0
    • Carbowax: 2324.75

  • Odor profile

    Citrus 64.58%
    Sweet 52.01%
    Fruity 51.04%
    Fresh 49.42%
    Waxy 48.48%
    Floral 48.31%
    Aldehydic 47.63%
    Green 45.61%
    Lemon 38.57%
    Fatty 37.53%

    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

    • 180.00 °C. @ 1.00 mm Hg

    Flash point est.
    132.56 ˚C

  • Synonyms

    • ALPHA-SINENSAL
    • 17909-77-2
    • (E,E,E)-2,6,10-Trimethyldodeca-2,6,9,11-tetraen-1-al
    • Sinensal, alpha-
    • .alpha.-Sinensal
    • 4955-32-2
    • (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
    • 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (2E,6E,9E)-
    • 5SEZ02PE9O
    • 2,6,10-TRIMETHYL-2,6,9,11-DODECATETRAENAL
    • EINECS 241-854-6
    • DTXSID90884997
    • (2E,6E,9E)-2,6,10-Trimethyl-2,6,9,11-dodecatetraenal
    • 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-
    • sinensal (alpha-)
    • UNII-5SEZ02PE9O
    • SCHEMBL713640
    • CHEBI:10332
    • DTXCID00912033
    • NS00013286
    • C09729
    • Q27108620
    • 2,6,10-Trimethyl-(E,E,E)-2,6,9,11-Dodecatetraenal
    • (2E,6E,9E)-2,6,10-trimethyl-dodeca-2,6,9,11-tetraenal
    • 2,6,10-Trimethyl-(2E,6E,9E)-2,6,9,11-Dodecatetraenal

  • Applications

    alpha-Sinensal (CAS 17909-77-2) is a characteristic citrus aldehyde from sweet orange used mainly in fragrance and flavor applications to deliver ripe orange, peely, sweet and slightly floral notes; in perfumery, personal care, and household cleaners it boosts fresh top notes and imparts natural citrus realism, while in flavor creation it is dosed at trace levels for beverages, confections, baked goods, and dairy to build authentic orange/mandarin profiles; analytically, alpha-sinensal serves as a GC/MS and GC/O reference for quality control of orange oils, authenticity verification, and monitoring aroma changes during storage; in R&D it supports sensory work, microencapsulation and controlled release studies, and stability/oxidation evaluations of aldehydic terpenoids; in formulation practice, antioxidants and encapsulation are often used to extend longevity, with adherence to applicable IFRA/FEMA/EU regulations and low-use limits due to aldehyde reactivity, and it should be stored under inert, light- and heat-protected conditions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 329.78
    methanol 243.57
    isopropanol 201.03
    water 0.04
    ethyl acetate 597.47
    n-propanol 271.09
    acetone 112.2
    n-butanol 296.04
    acetonitrile 177.12
    DMF 75.82
    toluene 353.76
    isobutanol 145.72
    1,4-dioxane 687.74
    methyl acetate 276.73
    THF 624.24
    2-butanone 347.26
    n-pentanol 270.04
    sec-butanol 285.99
    n-hexane 66.92
    ethylene glycol 9.98
    NMP 74.87
    cyclohexane 78.67
    DMSO 106.36
    n-butyl acetate 438.45
    n-octanol 60.01
    chloroform 856.7
    n-propyl acetate 321.03
    acetic acid 91.89
    dichloromethane 728.39
    cyclohexanone 311.7
    propylene glycol 42.72
    isopropyl acetate 322.18
    DMAc 198.1
    2-ethoxyethanol 317.52
    isopentanol 241.45
    n-heptane 33.09
    ethyl formate 133.42
    1,2-dichloroethane 481.25
    n-hexanol 275.56
    2-methoxyethanol 319.69
    isobutyl acetate 195.24
    tetrachloromethane 87.33
    n-pentyl acetate 164.66
    transcutol 1574.8
    n-heptanol 82.03
    ethylbenzene 204.92
    MIBK 206.95
    2-propoxyethanol 337.03
    tert-butanol 250.97
    MTBE 476.74
    2-butoxyethanol 166.41
    propionic acid 96.62
    o-xylene 166.75
    formic acid 24.29
    diethyl ether 783.91
    m-xylene 212.4
    p-xylene 189.28
    chlorobenzene 221.79
    dimethyl carbonate 44.54
    n-octane 9.29
    formamide 48.94
    cyclopentanone 179.13
    2-pentanone 302.9
    anisole 353.28
    cyclopentyl methyl ether 311.64
    gamma-butyrolactone 184.27
    1-methoxy-2-propanol 256.51
    pyridine 533.94
    3-pentanone 233.84
    furfural 228.47
    n-dodecane 5.14
    diethylene glycol 119.99
    diisopropyl ether 167.67
    tert-amyl alcohol 293.24
    acetylacetone 207.73
    n-hexadecane 6.08
    acetophenone 233.78
    methyl propionate 211.85
    isopentyl acetate 390.99
    trichloroethylene 749.37
    n-nonanol 61.81
    cyclohexanol 187.08
    benzyl alcohol 191.74
    2-ethylhexanol 184.51
    isooctanol 77.79
    dipropyl ether 340.08
    1,2-dichlorobenzene 196.86
    ethyl lactate 81.89
    propylene carbonate 139.13
    n-methylformamide 63.45
    2-pentanol 246.31
    n-pentane 44.84
    1-propoxy-2-propanol 307.76
    1-methoxy-2-propyl acetate 371.65
    2-(2-methoxypropoxy) propanol 238.55
    mesitylene 115.71
    ε-caprolactone 326.21
    p-cymene 94.42
    epichlorohydrin 492.33
    1,1,1-trichloroethane 375.37
    2-aminoethanol 55.36
    morpholine-4-carbaldehyde 218.43
    sulfolane 137.95
    2,2,4-trimethylpentane 30.3
    2-methyltetrahydrofuran 618.59
    n-hexyl acetate 199.18
    isooctane 23.04
    2-(2-butoxyethoxy)ethanol 306.97
    sec-butyl acetate 299.13
    tert-butyl acetate 318.95
    decalin 44.57
    glycerin 43.68
    diglyme 596.84
    acrylic acid 52.31
    isopropyl myristate 81.96
    n-butyric acid 240.72
    acetyl acetate 195.5
    di(2-ethylhexyl) phthalate 73.5
    ethyl propionate 277.4
    nitromethane 142.15
    1,2-diethoxyethane 712.32
    benzonitrile 188.2
    trioctyl phosphate 38.59
    1-bromopropane 423.1
    gamma-valerolactone 350.46
    n-decanol 44.1
    triethyl phosphate 113.52
    4-methyl-2-pentanol 126.19
    propionitrile 209.8
    vinylene carbonate 121.47
    1,1,2-trichlorotrifluoroethane 175.79
    DMS 135.88
    cumene 119.83
    2-octanol 50.11
    2-hexanone 321.14
    octyl acetate 86.42
    limonene 141.43
    1,2-dimethoxyethane 599.6
    ethyl orthosilicate 133.77
    tributyl phosphate 61.02
    diacetone alcohol 222.87
    N,N-dimethylaniline 204.73
    acrylonitrile 160.33
    aniline 222.68
    1,3-propanediol 122.26
    bromobenzene 258.6
    dibromomethane 538.86
    1,1,2,2-tetrachloroethane 610.53
    2-methyl-cyclohexyl acetate 223.79
    tetrabutyl urea 73.76
    diisobutyl methanol 110.11
    2-phenylethanol 213.2
    styrene 237.5
    dioctyl adipate 123.8
    dimethyl sulfate 46.64
    ethyl butyrate 363.91
    methyl lactate 56.31
    butyl lactate 101.8
    diethyl carbonate 192.93
    propanediol butyl ether 114.0
    triethyl orthoformate 239.99
    p-tert-butyltoluene 89.39
    methyl 4-tert-butylbenzoate 158.24
    morpholine 850.28
    tert-butylamine 191.68
    n-dodecanol 32.53
    dimethoxymethane 182.8
    ethylene carbonate 109.65
    cyrene 131.13
    2-ethoxyethyl acetate 276.88
    2-ethylhexyl acetate 315.98
    1,2,4-trichlorobenzene 222.67
    4-methylpyridine 463.68
    dibutyl ether 204.58
    2,6-dimethyl-4-heptanol 110.11
    DEF 260.04
    dimethyl isosorbide 388.51
    tetrachloroethylene 330.96
    eugenol 148.14
    triacetin 176.46
    span 80 157.55
    1,4-butanediol 46.73
    1,1-dichloroethane 426.48
    2-methyl-1-pentanol 256.59
    methyl formate 35.61
    2-methyl-1-butanol 219.64
    n-decane 10.64
    butyronitrile 296.79
    3,7-dimethyl-1-octanol 106.11
    1-chlorooctane 61.71
    1-chlorotetradecane 20.63
    n-nonane 10.24
    undecane 6.94
    tert-butylcyclohexane 45.54
    cyclooctane 27.25
    cyclopentanol 98.1
    tetrahydropyran 924.27
    tert-amyl methyl ether 381.86
    2,5,8-trioxanonane 407.19
    1-hexene 286.28
    2-isopropoxyethanol 228.45
    2,2,2-trifluoroethanol 17.76
    methyl butyrate 323.97

    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
Mandarin (Spain) 1 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.19%
Mandarin (Italy) 2 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.2%
Orange leaf, sweet (North Africa) 2 Citrus sinensis (L.) Osbeck, cultivar Sanguine, fam. Rutaceae 0.67%
Orange, sweet (USA-Florida) 1 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Midseason, fam. Rutaceae 0.01%
Orange, sweet (USA-Florida) 4 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.02%
Orange, sweet (Israel) 1 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.03%
Orange, sweet (Israel) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Shamouti, fam. Rutaceae 0.03%
Orange, sweet (Italy) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
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 0.02%
Tangerine (Brazil) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.08%
Tangerine (Mexico) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.08%
Tangerine (USA-California) 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.05%
Tangerine (USA-Florida) 1 8008-31-9 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.07%
Mandarin (Italy) 3 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.29%
Orange, sweet (USA-Florida) 5 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.02%
Orange, sweet (USA-Florida) 6 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.02%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.02%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.07%
Mandarin (Italy) 4 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.15%
Mandarin leaf (Petitgrain mandarin.) (Israel) 2 Citrus reticulata Blanco, cultivar Yussuf Effendy, fam. Rutaceae 0.93%
Mandarin leaf (Petitgrain mandarin.) (Israel) 3 Citrus reticulata Blanco, cultivar Dancy, fam. Rutaceae 0.24%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 0.72%
Mandarin leaf (Petitgrain mandarin.) (Israel) 5 Citrus reticulata Blanco, cultivar Clementine, Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Israel) 6 Citrus reticulata Blanco, cultivar Michal, fam. Rutaceae 0.17%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.48%
Orange, sweet (USA-Florida) 7 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.02%
Orange, sweet (Italy) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Orange, sweet (Spain) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.01%
Orange, sweet (Spain) 3 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Sanguine, fam. Rutaceae 0.01%
Orange, sweet (Taiwan) 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Tankan, fam. Rutaceae 0.06%
Orange, sweet (Mexico) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.04%
Orange, sweet (Italy) 4 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.04%
Orange, sweet, deterpenized 8008-57-9 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.6%
Lemon (Japan) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Mandarin (Italy) 5 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.21%
Mandarin 2 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.23%
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 0.03%
Orange, sweet (Uruguay) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.02%
Mandarin (Italy) 6 distilled 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.08%
Orange, sweet (Italy) 5 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.01%
Clementine (Italy) 2 Citrus clementina Hort. ex Tan., (C. deliciosa Ten. var. Clementina) 0.11%
Clementine x Lemon (Italy) 1 Citrus clementina Hort. ex Tan. x Citrus limon (L.) Burm., fam. Rutaceae 0.03%
Orange, bitter (Italy) 72968-50-4 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Orange, sweet (USA) (hydrocarbon-free) 8028-48-6 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.24%
Orange leaf, sweet (Mauritius) Citrus sinensis (L.) Osbeck, fam. Rutaceae 2.93%
Mandarin 3 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.2%
Mandarin (Columbia) 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.19%