1-Tridecanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    112-70-9

    Molecular formula
    C13H28O

    SMILES
    CCCCCCCCCCCCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1584.0
    • Carbowax: 2064.0

  • Odor profile

    Waxy 73.75%
    Fatty 66.54%
    Oily 63.83%
    Floral 63.13%
    Fruity 55.97%
    Citrus 47.52%
    Rose 45.05%
    Clean 43.11%
    Sweet 41.25%
    Fresh 41.18%

    Scent© AI

  • Properties

    XLogP3-AA
    5.7

    Molecular weight
    200.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 32.5 °C
    • Heat Fusion at Melting point = 4.5120X10+7 J/kmol (for the beta form)
    • 32.00 to 33.00 °C. @ 760.00 mm Hg
    • 30-32 °C

    Boiling point

    • 525 °F at 760 mmHg (USCG, 1999)
    • 152 °C at 14 mm Hg
    • 155.00 to 156.00 °C. @ 15.00 mm Hg
    • 274 °C

    Flash point est.
    130.02 ˚C

    Flash point expt.

    • 250 °F (USCG, 1999)
    • 121 °C
    • 250 °F (121 °C) (Open cup)
    • 121 °C o.c. (mixed isomers)

    Solubility expt.

    • INSOL IN WATER; SOL IN ALCOHOL & IN ETHER /1-TRIDECANOL/
    • Sol in ethanol, ether
    • Solubility in water, g/100ml at 20 °C: 0.01 (very poor)

  • Synonyms

    • 1-TRIDECANOL
    • Tridecanol
    • 112-70-9
    • Tridecan-1-ol
    • Tridecyl alcohol
    • 26248-42-0
    • n-Tridecan-1-ol
    • n-Tridecanol
    • n-Tridecyl alcohol
    • 80206-82-2
    • 1-Hydroxytridecane
    • MFCD00004756
    • N-TRIDECYL-D27 ALCOHOL
    • DTXSID2021947
    • CHEBI:34123
    • NSC-5252
    • 8I9428H868
    • DTXCID901947
    • CAS-112-70-9
    • CCRIS 8591
    • HSDB 5574
    • NSC 5252
    • EINECS 203-998-8
    • BRN 1739991
    • AI3-35264
    • UNII-8I9428H868
    • EINECS 279-420-3
    • 1-Tridecanol, 97%
    • Maybridge1_004320
    • SCHEMBL20879
    • 1-TRIDECANOL [HSDB]
    • BIDD:ER0306
    • CHEMBL24832
    • WLN: Q13
    • HMS553M10
    • NSC5252
    • Tox21_202208
    • Tox21_300138
    • LMFA05000171
    • STL287936
    • AKOS005267216
    • CS-W004293
    • HY-W004293
    • HY-W763562
    • NCGC00164019-01
    • NCGC00164019-02
    • NCGC00164019-03
    • NCGC00254162-01
    • NCGC00259757-01
    • 1-Tridecanol, purum, >=98.0% (GC)
    • BP-28084
    • BS-14333
    • SY049489
    • NS00007712
    • T0803
    • H10847
    • EN300-1841776
    • Q161684
    • 85AD1334-FDF8-446D-BF63-A7EE6B26FE07
    • F0001-0261

  • Applications

    1-Tridecanol (CAS 112-70-9) is a linear C13 fatty alcohol used mainly as an intermediate to produce surfactants (alcohol ethoxylates and their sulfate/sulfonate derivatives) for household and industrial cleaners; as an emulsifier/wetting/dispersing aid in agrochemical formulations, paints, inks, and adhesives; as a lubricity, slip, and antifoam component in metalworking and oilfield fluids; and as a processing aid in textiles, leather, and paper; when converted to suitable derivatives it can function as an emollient and viscosity modifier in personal care; its high boiling point and low volatility also make it useful as a co-solvent/coupling agent and compatibility promoter to improve wetting of hydrophobic surfaces, while benefiting from the inherent biodegradability of long-chain fatty alcohols.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1890.95
    methanol 1008.2
    isopropanol 2937.32
    water 0.01
    ethyl acetate 2645.15
    n-propanol 2393.38
    acetone 3137.3
    n-butanol 2723.08
    acetonitrile 931.56
    DMF 1497.51
    toluene 782.9
    isobutanol 2111.55
    1,4-dioxane 2849.36
    methyl acetate 1303.96
    THF 7301.17
    2-butanone 2643.95
    n-pentanol 1644.47
    sec-butanol 2639.23
    n-hexane 2389.84
    ethylene glycol 61.31
    NMP 1375.9
    cyclohexane 3534.77
    DMSO 2903.23
    n-butyl acetate 3712.44
    n-octanol 806.87
    chloroform 3359.61
    n-propyl acetate 2605.61
    acetic acid 651.9
    dichloromethane 3375.12
    cyclohexanone 4417.45
    propylene glycol 238.76
    isopropyl acetate 2025.73
    DMAc 980.38
    2-ethoxyethanol 1380.89
    isopentanol 2544.25
    n-heptane 2218.32
    ethyl formate 949.72
    1,2-dichloroethane 3033.2
    n-hexanol 2192.08
    2-methoxyethanol 1967.1
    isobutyl acetate 1473.97
    tetrachloromethane 1051.05
    n-pentyl acetate 1979.09
    transcutol 4164.28
    n-heptanol 1013.21
    ethylbenzene 571.62
    MIBK 1936.94
    2-propoxyethanol 2094.45
    tert-butanol 3988.89
    MTBE 3911.47
    2-butoxyethanol 1463.17
    propionic acid 871.01
    o-xylene 506.28
    formic acid 55.75
    diethyl ether 4532.52
    m-xylene 564.49
    p-xylene 718.16
    chlorobenzene 948.96
    dimethyl carbonate 224.34
    n-octane 485.91
    formamide 128.94
    cyclopentanone 3832.91
    2-pentanone 3446.36
    anisole 823.58
    cyclopentyl methyl ether 3861.83
    gamma-butyrolactone 2751.52
    1-methoxy-2-propanol 2162.54
    pyridine 2054.39
    3-pentanone 1894.27
    furfural 1416.16
    n-dodecane 149.52
    diethylene glycol 590.27
    diisopropyl ether 1667.24
    tert-amyl alcohol 2739.54
    acetylacetone 1762.41
    n-hexadecane 182.09
    acetophenone 759.68
    methyl propionate 1346.62
    isopentyl acetate 2883.2
    trichloroethylene 3204.43
    n-nonanol 742.82
    cyclohexanol 2954.91
    benzyl alcohol 561.74
    2-ethylhexanol 1836.39
    isooctanol 1030.71
    dipropyl ether 5717.23
    1,2-dichlorobenzene 903.27
    ethyl lactate 542.67
    propylene carbonate 1464.54
    n-methylformamide 611.21
    2-pentanol 2552.55
    n-pentane 1534.38
    1-propoxy-2-propanol 2695.92
    1-methoxy-2-propyl acetate 1709.02
    2-(2-methoxypropoxy) propanol 716.49
    mesitylene 450.72
    ε-caprolactone 2870.69
    p-cymene 570.17
    epichlorohydrin 3062.89
    1,1,1-trichloroethane 2863.03
    2-aminoethanol 323.78
    morpholine-4-carbaldehyde 1451.13
    sulfolane 3081.8
    2,2,4-trimethylpentane 398.77
    2-methyltetrahydrofuran 5228.98
    n-hexyl acetate 1850.43
    isooctane 383.31
    2-(2-butoxyethoxy)ethanol 1236.98
    sec-butyl acetate 1786.55
    tert-butyl acetate 2276.23
    decalin 631.66
    glycerin 248.59
    diglyme 2647.07
    acrylic acid 388.96
    isopropyl myristate 676.5
    n-butyric acid 2656.02
    acetyl acetate 875.01
    di(2-ethylhexyl) phthalate 336.92
    ethyl propionate 1953.67
    nitromethane 1101.93
    1,2-diethoxyethane 3298.01
    benzonitrile 832.75
    trioctyl phosphate 352.47
    1-bromopropane 3703.34
    gamma-valerolactone 3280.1
    n-decanol 500.36
    triethyl phosphate 726.73
    4-methyl-2-pentanol 1303.82
    propionitrile 1481.51
    vinylene carbonate 846.58
    1,1,2-trichlorotrifluoroethane 1573.16
    DMS 564.8
    cumene 422.02
    2-octanol 808.89
    2-hexanone 2570.74
    octyl acetate 706.09
    limonene 1339.12
    1,2-dimethoxyethane 3453.17
    ethyl orthosilicate 866.24
    tributyl phosphate 489.59
    diacetone alcohol 1778.2
    N,N-dimethylaniline 565.93
    acrylonitrile 981.53
    aniline 812.89
    1,3-propanediol 839.44
    bromobenzene 1116.87
    dibromomethane 3127.14
    1,1,2,2-tetrachloroethane 3336.67
    2-methyl-cyclohexyl acetate 1329.91
    tetrabutyl urea 615.36
    diisobutyl methanol 1281.82
    2-phenylethanol 694.52
    styrene 680.01
    dioctyl adipate 780.74
    dimethyl sulfate 394.75
    ethyl butyrate 3036.77
    methyl lactate 382.2
    butyl lactate 1031.48
    diethyl carbonate 1191.21
    propanediol butyl ether 809.79
    triethyl orthoformate 1869.72
    p-tert-butyltoluene 563.47
    methyl 4-tert-butylbenzoate 713.68
    morpholine 4350.48
    tert-butylamine 3353.57
    n-dodecanol 370.48
    dimethoxymethane 1551.97
    ethylene carbonate 1044.54
    cyrene 537.41
    2-ethoxyethyl acetate 1462.63
    2-ethylhexyl acetate 2401.45
    1,2,4-trichlorobenzene 915.21
    4-methylpyridine 1855.85
    dibutyl ether 3114.46
    2,6-dimethyl-4-heptanol 1281.82
    DEF 2457.94
    dimethyl isosorbide 1287.72
    tetrachloroethylene 2274.66
    eugenol 544.27
    triacetin 939.97
    span 80 839.13
    1,4-butanediol 275.11
    1,1-dichloroethane 3224.76
    2-methyl-1-pentanol 1359.04
    methyl formate 347.91
    2-methyl-1-butanol 2068.83
    n-decane 399.74
    butyronitrile 2352.39
    3,7-dimethyl-1-octanol 1032.09
    1-chlorooctane 1047.36
    1-chlorotetradecane 309.43
    n-nonane 488.43
    undecane 225.19
    tert-butylcyclohexane 550.19
    cyclooctane 837.81
    cyclopentanol 2746.93
    tetrahydropyran 7318.67
    tert-amyl methyl ether 2349.46
    2,5,8-trioxanonane 1271.17
    1-hexene 3680.32
    2-isopropoxyethanol 1231.58
    2,2,2-trifluoroethanol 156.39
    methyl butyrate 2682.49

    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
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.2%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.4%
Rosa rugosa (China) 2 Rosa rugosa Thunb., fam. Rosaceae 1.12%
Rosa rugosa (China) 1 Rosa rugosa Thunb. (hybrids), fam. Rosaceae 0.8%
Passion fruit shell Passiflora edulis Sims, fam. Passifloraceae 2.1%
Cerastium candidissimum (Greece) Cerastium candidissimum Correns, fam. Caryophyllaceae 0.4%