Cyclododecanol, 1-formate

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  • Identifiers

    CAS number
    59052-82-3

    Molecular formula
    C13H24O2

    SMILES
    C1CCCCCC(CCCCC1)OC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 77.37%
    Woody 73.31%
    Floral 59.81%
    Sweet 56.41%
    Waxy 49.15%
    Musk 46.57%
    Fresh 42.91%
    Amber 42.37%
    Dry 39.77%
    Green 37.56%

     

    Flavor
    Fruity 50.57%
    Green 28.68%
    Fruit 25.67%
    Plant 22.03%
    Animal 21.38%
    Shrimp 21.24%
    Beet 20.48%
    Alkaline 20.15%
    Soil 20.11%
    Black tea 19.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.9 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    284°C

    Flash point

    • 111.12 ˚C est.

  • Synonyms

    • Cyclododecyl formate
    • 59052-82-3
    • Cyclododecanol formate
    • Cyclododecanol, 1-formate
    • Cyclododecanol, formate
    • EINECS 261-575-3
    • DTXSID70866731
    • SCHEMBL2108204
    • DTXCID00814987
    • WGFQFIYJBLNXIF-UHFFFAOYSA-N
    • NS00012152
    • Q63395577
    • 261-575-3

  • Applications

    Cyclododecanol, 1-formate is widely used as an intermediate and fragrance-related ester in several industries. In perfumery and cosmetics, it is often employed as a fragrance ingredient and fixative to contribute to macrocyclic scent notes; in coatings and inks, it can function as a processing aid and aroma component in specialty formulations; in industrial manufacturing, it serves as an intermediate for the synthesis of cyclododecyl esters and related derivatives; in polymers and plastics, it acts as a precursor for functionalized cyclododecyl esters used in niche polymer chemistries; and in broader chemical production, it may be encountered as a synthetic intermediate and fragrance-related ingredient subject to formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 417.29
    methanol 288.71
    isopropanol 499.04
    water 0.02
    ethyl acetate 1352.34
    n-propanol 549.8
    acetone 1607.27
    n-butanol 478.58
    acetonitrile 715.68
    DMF 1915.38
    toluene 1201.72
    isobutanol 469.44
    1,4-dioxane 1540.46
    methyl acetate 1067.27
    THF 3675.48
    2-butanone 1431.37
    n-pentanol 321.22
    sec-butanol 490.51
    n-hexane 231.47
    ethylene glycol 54.57
    NMP 2290.9
    cyclohexane 648.75
    DMSO 2413.88
    n-butyl acetate 1204.01
    n-octanol 245.93
    chloroform 4522.17
    n-propyl acetate 1064.99
    acetic acid 567.05
    dichloromethane 4708.66
    cyclohexanone 3127.34
    propylene glycol 151.65
    isopropyl acetate 979.72
    DMAc 1182.11
    2-ethoxyethanol 454.39
    isopentanol 470.33
    n-heptane 174.96
    ethyl formate 791.57
    1,2-dichloroethane 3211.19
    n-hexanol 410.81
    2-methoxyethanol 756.73
    isobutyl acetate 626.79
    tetrachloromethane 824.87
    n-pentyl acetate 902.91
    transcutol 1809.5
    n-heptanol 226.99
    ethylbenzene 500.58
    MIBK 830.94
    2-propoxyethanol 647.33
    tert-butanol 648.83
    MTBE 823.55
    2-butoxyethanol 480.98
    propionic acid 788.6
    o-xylene 618.93
    formic acid 98.91
    diethyl ether 898.17
    m-xylene 690.48
    p-xylene 650.68
    chlorobenzene 1716.43
    dimethyl carbonate 448.42
    n-octane 66.96
    formamide 256.33
    cyclopentanone 4058.07
    2-pentanone 1387.18
    anisole 812.46
    cyclopentyl methyl ether 1861.51
    gamma-butyrolactone 4025.61
    1-methoxy-2-propanol 715.53
    pyridine 2549.05
    3-pentanone 1104.69
    furfural 2590.73
    n-dodecane 39.34
    diethylene glycol 313.07
    diisopropyl ether 378.15
    tert-amyl alcohol 560.6
    acetylacetone 1580.9
    n-hexadecane 48.67
    acetophenone 864.57
    methyl propionate 1080.58
    isopentyl acetate 959.75
    trichloroethylene 5514.47
    n-nonanol 224.14
    cyclohexanol 960.15
    benzyl alcohol 546.17
    2-ethylhexanol 346.79
    isooctanol 221.04
    dipropyl ether 704.75
    1,2-dichlorobenzene 1534.53
    ethyl lactate 365.49
    propylene carbonate 1975.81
    n-methylformamide 874.84
    2-pentanol 427.48
    n-pentane 172.96
    1-propoxy-2-propanol 647.28
    1-methoxy-2-propyl acetate 877.27
    2-(2-methoxypropoxy) propanol 410.17
    mesitylene 452.41
    ε-caprolactone 2203.35
    p-cymene 307.14
    epichlorohydrin 3532.4
    1,1,1-trichloroethane 2908.95
    2-aminoethanol 194.17
    morpholine-4-carbaldehyde 1574.59
    sulfolane 4774.51
    2,2,4-trimethylpentane 84.87
    2-methyltetrahydrofuran 2422.45
    n-hexyl acetate 960.89
    isooctane 68.44
    2-(2-butoxyethoxy)ethanol 586.68
    sec-butyl acetate 725.56
    tert-butyl acetate 982.45
    decalin 201.8
    glycerin 203.13
    diglyme 1286.36
    acrylic acid 649.57
    isopropyl myristate 341.37
    n-butyric acid 1199.69
    acetyl acetate 872.3
    di(2-ethylhexyl) phthalate 265.81
    ethyl propionate 905.34
    nitromethane 1419.06
    1,2-diethoxyethane 937.75
    benzonitrile 1048.45
    trioctyl phosphate 206.12
    1-bromopropane 1667.92
    gamma-valerolactone 3147.53
    n-decanol 157.99
    triethyl phosphate 362.79
    4-methyl-2-pentanol 269.81
    propionitrile 852.88
    vinylene carbonate 1521.68
    1,1,2-trichlorotrifluoroethane 1779.52
    DMS 717.52
    cumene 307.5
    2-octanol 213.82
    2-hexanone 880.81
    octyl acetate 405.36
    limonene 485.65
    1,2-dimethoxyethane 1125.74
    ethyl orthosilicate 330.53
    tributyl phosphate 287.95
    diacetone alcohol 813.12
    N,N-dimethylaniline 500.31
    acrylonitrile 1144.73
    aniline 1025.29
    1,3-propanediol 329.29
    bromobenzene 2160.52
    dibromomethane 3186.74
    1,1,2,2-tetrachloroethane 4321.25
    2-methyl-cyclohexyl acetate 601.26
    tetrabutyl urea 366.44
    diisobutyl methanol 267.17
    2-phenylethanol 482.99
    styrene 698.14
    dioctyl adipate 501.82
    dimethyl sulfate 871.17
    ethyl butyrate 836.3
    methyl lactate 425.16
    butyl lactate 547.99
    diethyl carbonate 522.23
    propanediol butyl ether 423.86
    triethyl orthoformate 559.84
    p-tert-butyltoluene 296.28
    methyl 4-tert-butylbenzoate 618.34
    morpholine 1887.7
    tert-butylamine 459.82
    n-dodecanol 122.43
    dimethoxymethane 988.85
    ethylene carbonate 1347.38
    cyrene 491.03
    2-ethoxyethyl acetate 911.47
    2-ethylhexyl acetate 800.87
    1,2,4-trichlorobenzene 1712.58
    4-methylpyridine 2066.06
    dibutyl ether 639.25
    2,6-dimethyl-4-heptanol 267.17
    DEF 1393.86
    dimethyl isosorbide 975.09
    tetrachloroethylene 2699.04
    eugenol 464.53
    triacetin 792.66
    span 80 459.22
    1,4-butanediol 130.3
    1,1-dichloroethane 2785.13
    2-methyl-1-pentanol 319.75
    methyl formate 664.46
    2-methyl-1-butanol 441.87
    n-decane 76.11
    butyronitrile 851.77
    3,7-dimethyl-1-octanol 294.93
    1-chlorooctane 355.73
    1-chlorotetradecane 124.98
    n-nonane 83.21
    undecane 51.84
    tert-butylcyclohexane 146.0
    cyclooctane 194.9
    cyclopentanol 1144.82
    tetrahydropyran 2223.23
    tert-amyl methyl ether 668.63
    2,5,8-trioxanonane 721.0
    1-hexene 565.89
    2-isopropoxyethanol 383.98
    2,2,2-trifluoroethanol 265.15
    methyl butyrate 1285.2

    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