2-Tridecenal

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  • Identifiers

    CAS number
    7069-41-2

    Molecular formula
    C13H24O

    SMILES
    CCCCCCCCCC/C=C/C=O

    Retention indicies (RI)

    • DB5: 1579.0
    • Carbowax: 1950.0

  • Odor profile

    Fatty 82.69%
    Citrus 81.02%
    Waxy 77.43%
    Green 70.78%
    Fruity 68.67%
    Aldehydic 68.52%
    Orange 64.73%
    Floral 57.81%
    Fresh 53.9%
    Fruit skin 48.17%

    Scent© AI

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.18 (neutral)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 115.00 to 118.00 °C. @ 10.00 mm Hg

    Flash point est.
    121.13 ˚C

    Solubility expt.

    • very slightly
    • Soluble in most fixed oils; Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-TRIDECENAL
    • trans-2-tridecen-1-al
    • 7774-82-5
    • (E)-Tridec-2-enal
    • trans-2-Tridecenal
    • (2E)-2-Tridecenal
    • 7069-41-2
    • (e)-2-tridecenal
    • FEMA No. 3082
    • 2-Tridecenal, (E)-
    • UNII-C950P0MYML
    • EINECS 231-883-2
    • C950P0MYML
    • EINECS 230-362-7
    • 2-TRANS-TRIDECENAL
    • 2-Tridecenal, (2E)-
    • 2-TRIDECEN-1-AL
    • NSC-617616
    • 2-TRIDECENAL [FCC]
    • 2-TRIDECENAL [FHFI]
    • 2-TRIDECENAL, TRANS-
    • DTXSID8052518
    • FEMA 3082
    • 3-Decylacrolein
    • DTXSID0052883
    • 2E-tridecenal
    • Tridecen-2-al-1
    • NSC617616
    • (2E)-tridec-2-enal
    • 2-Tridecenal(High Trans)
    • CHEMBL1995395
    • DTXCID6031091
    • CHEBI:184224
    • BCP25477
    • LMFA06000075
    • NS00013251
    • G77405
    • Q27275342
    • 2-Tridecenal, predominantly trans, >=95%, stabilized, FCC, FG
    • 231-883-2

  • Applications

    2-Tridecenal (CAS 7069-41-2) is an unsaturated aliphatic aldehyde with broad utility: in fragrance and flavor, at trace levels it provides a bright aldehydic character with fatty–green–citrus peel nuances, enhancing freshness in fine fragrances, soaps, detergents, and candles, and refining citrus, oily, and green notes in beverages, confectionery, dairy, and savory foods; in sensory/analytical work it serves as a reference or marker for lipid oxidation and volatile profiling of foods, essential oils, and environmental samples; in agriculture and chemical ecology it is explored/used as a semiochemical component in lures, attractants, or behavior modulators for integrated pest management; in organic synthesis its –CHO group enables reduction to the alcohol, oxidation to the acid, and imine/enamine formation, making it a versatile building block for surfactants, additives, agrochemical/pharmaceutical intermediates, and functional materials, and it can be grafted onto surfaces/polymers via aldehyde chemistry for modification/crosslinking; note that it is prone to oxidation/isomerization, so it is typically stored under inert atmosphere, protected from light and heat with antioxidants, and applied at low dosages in compliance with applicable safety, IFRA, and food regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1273.07
    methanol 784.44
    isopropanol 1562.92
    water 0.0
    ethyl acetate 2282.9
    n-propanol 1338.14
    acetone 2839.17
    n-butanol 1389.12
    acetonitrile 858.59
    DMF 1302.5
    toluene 854.01
    isobutanol 1033.88
    1,4-dioxane 1999.05
    methyl acetate 1136.48
    THF 4617.33
    2-butanone 2458.66
    n-pentanol 1020.34
    sec-butanol 1337.4
    n-hexane 1140.76
    ethylene glycol 47.64
    NMP 1158.0
    cyclohexane 1547.19
    DMSO 2261.76
    n-butyl acetate 2295.2
    n-octanol 381.37
    chloroform 2772.68
    n-propyl acetate 1811.73
    acetic acid 452.64
    dichloromethane 3163.12
    cyclohexanone 3210.41
    propylene glycol 157.26
    isopropyl acetate 1533.89
    DMAc 869.42
    2-ethoxyethanol 915.51
    isopentanol 1347.89
    n-heptane 622.46
    ethyl formate 659.04
    1,2-dichloroethane 3046.96
    n-hexanol 1263.42
    2-methoxyethanol 1253.47
    isobutyl acetate 1007.54
    tetrachloromethane 633.45
    n-pentyl acetate 1075.58
    transcutol 3582.15
    n-heptanol 429.35
    ethylbenzene 511.21
    MIBK 1432.56
    2-propoxyethanol 1442.17
    tert-butanol 1903.13
    MTBE 2463.83
    2-butoxyethanol 729.67
    propionic acid 567.63
    o-xylene 460.15
    formic acid 49.18
    diethyl ether 3315.61
    m-xylene 567.47
    p-xylene 564.92
    chlorobenzene 967.27
    dimethyl carbonate 209.33
    n-octane 154.01
    formamide 110.67
    cyclopentanone 2777.2
    2-pentanone 2729.27
    anisole 731.23
    cyclopentyl methyl ether 2765.29
    gamma-butyrolactone 2078.98
    1-methoxy-2-propanol 1398.41
    pyridine 1844.14
    3-pentanone 1519.32
    furfural 1201.51
    n-dodecane 61.0
    diethylene glycol 457.39
    diisopropyl ether 994.82
    tert-amyl alcohol 1361.92
    acetylacetone 1598.74
    n-hexadecane 75.28
    acetophenone 650.46
    methyl propionate 1233.42
    isopentyl acetate 1803.27
    trichloroethylene 3481.9
    n-nonanol 356.97
    cyclohexanol 1564.12
    benzyl alcohol 495.66
    2-ethylhexanol 968.99
    isooctanol 434.17
    dipropyl ether 2422.92
    1,2-dichlorobenzene 851.49
    ethyl lactate 373.53
    propylene carbonate 1043.45
    n-methylformamide 487.94
    2-pentanol 1271.49
    n-pentane 678.79
    1-propoxy-2-propanol 1489.06
    1-methoxy-2-propyl acetate 1349.3
    2-(2-methoxypropoxy) propanol 556.83
    mesitylene 414.18
    ε-caprolactone 2003.91
    p-cymene 346.66
    epichlorohydrin 2853.06
    1,1,1-trichloroethane 2542.94
    2-aminoethanol 219.24
    morpholine-4-carbaldehyde 1187.78
    sulfolane 2316.44
    2,2,4-trimethylpentane 182.88
    2-methyltetrahydrofuran 3904.55
    n-hexyl acetate 1134.47
    isooctane 181.99
    2-(2-butoxyethoxy)ethanol 845.07
    sec-butyl acetate 1192.36
    tert-butyl acetate 1560.42
    decalin 342.12
    glycerin 162.95
    diglyme 1720.41
    acrylic acid 290.03
    isopropyl myristate 414.03
    n-butyric acid 1499.94
    acetyl acetate 743.27
    di(2-ethylhexyl) phthalate 236.48
    ethyl propionate 1384.56
    nitromethane 882.34
    1,2-diethoxyethane 2349.25
    benzonitrile 723.39
    trioctyl phosphate 204.25
    1-bromopropane 2887.72
    gamma-valerolactone 2502.36
    n-decanol 251.65
    triethyl phosphate 411.86
    4-methyl-2-pentanol 656.51
    propionitrile 1108.9
    vinylene carbonate 709.02
    1,1,2-trichlorotrifluoroethane 1146.38
    DMS 508.46
    cumene 313.21
    2-octanol 346.73
    2-hexanone 1890.43
    octyl acetate 443.81
    limonene 744.7
    1,2-dimethoxyethane 2169.67
    ethyl orthosilicate 450.53
    tributyl phosphate 295.83
    diacetone alcohol 1202.01
    N,N-dimethylaniline 450.17
    acrylonitrile 854.75
    aniline 738.54
    1,3-propanediol 459.16
    bromobenzene 1179.43
    dibromomethane 2626.23
    1,1,2,2-tetrachloroethane 3038.86
    2-methyl-cyclohexyl acetate 843.4
    tetrabutyl urea 368.35
    diisobutyl methanol 617.81
    2-phenylethanol 586.7
    styrene 650.46
    dioctyl adipate 513.51
    dimethyl sulfate 334.5
    ethyl butyrate 1561.04
    methyl lactate 288.01
    butyl lactate 560.32
    diethyl carbonate 683.0
    propanediol butyl ether 461.87
    triethyl orthoformate 895.04
    p-tert-butyltoluene 340.4
    methyl 4-tert-butylbenzoate 494.39
    morpholine 3054.34
    tert-butylamine 1488.25
    n-dodecanol 189.48
    dimethoxymethane 1291.06
    ethylene carbonate 716.39
    cyrene 420.76
    2-ethoxyethyl acetate 1069.38
    2-ethylhexyl acetate 1432.65
    1,2,4-trichlorobenzene 864.14
    4-methylpyridine 1721.77
    dibutyl ether 1538.19
    2,6-dimethyl-4-heptanol 617.81
    DEF 1914.87
    dimethyl isosorbide 1046.54
    tetrachloroethylene 1889.18
    eugenol 411.42
    triacetin 670.31
    span 80 541.82
    1,4-butanediol 169.93
    1,1-dichloroethane 3051.98
    2-methyl-1-pentanol 878.55
    methyl formate 278.62
    2-methyl-1-butanol 1087.96
    n-decane 144.1
    butyronitrile 1629.56
    3,7-dimethyl-1-octanol 532.41
    1-chlorooctane 532.01
    1-chlorotetradecane 160.65
    n-nonane 172.76
    undecane 88.73
    tert-butylcyclohexane 292.14
    cyclooctane 406.53
    cyclopentanol 1272.52
    tetrahydropyran 4655.15
    tert-amyl methyl ether 1522.15
    2,5,8-trioxanonane 947.41
    1-hexene 2314.92
    2-isopropoxyethanol 812.78
    2,2,2-trifluoroethanol 96.23
    methyl butyrate 1824.89

    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
Cilantro (Coriander leaf) 3 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.7%
Cilantro (Coriander leaf) 2 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 2.0%
Cilantro (Coriander leaf) 5a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 2.53%
Cilantro (Coriander leaf) 5b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.83%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 4.56%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.31%
Bifora radians (Turkey) Bifora radians Bieb., fam. Apiaceae (Umbelliferae) 47.21%
Cilantro (Coriander leaf) 6a 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 2.5%
Cilantro (Coriander leaf) 6b 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 5.3%
Cilantro (Coriander leaf) 7 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.09%
Mandarin (Italy) 8 8008-31-9 Citrus deliciosa Tenore (C. reticulata Blanco, cv.mandarin), fam. Rutaceae 0.01%
Tangerine (USA-Florida) 3 8008-31-9 Citrus reticulata Blanco, cultivar Dansy, fam. Rutaceae 0.01%