1,12-Dodecanediol

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  • Identifiers

    CAS number
    5675-51-4

    Molecular formula
    C12H26O2

    SMILES
    C(CCCCCCO)CCCCCO

    Safety labels

  • Odor profile

    Fragrance
    Waxy 51.11%
    Floral 49.01%
    Oily 47.83%
    Sweet 42.91%
    Fresh 41.78%
    Rose 41.07%
    Fatty 38.79%
    Citrus 38.14%
    Clean 37.63%
    Fruity 33.55%

     

    Flavor
    Waxy 71.27%
    Floral 61.91%
    Green 54.76%
    Rose 54.03%
    Fresh 49.79%
    Fatty 49.28%
    Sweet 47.53%
    Clean 47.19%
    Orange 44.72%
    Citrus 44.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.04 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 159.7 ˚C est.

  • Synonyms

    • 1,12-Dodecanediol
    • 5675-51-4
    • Dodecamethylene glycol
    • EINECS 227-133-9
    • DTXSID1074919
    • NSC 81250
    • Dodecane1,12diol
    • RefChem:71195
    • DTXCID5042110
    • GHLKSLMMWAKNBM-UHFFFAOYSA-N
    • Dodecane-1,12-diol
    • MFCD00004755
    • 1,12-Dihydroxydodecane
    • CHEMBL17440
    • S694C87MF3
    • NSC-81250
    • NSC81250
    • 1,12-Dodecandiol
    • 1,12-dodecane diol
    • SCHEMBL36137
    • 1,12-Dodecanediol, 99%
    • SCHEMBL526694
    • UNII-S694C87MF3
    • orb2939762
    • SCHEMBL1008980
    • SCHEMBL4380516
    • SCHEMBL4423812
    • SCHEMBL8674591
    • SCHEMBL8973807
    • CHEBI:228137
    • BDBM50046090
    • SBB060740
    • AKOS015856550
    • CS-W015495
    • FD34708
    • HY-W014779
    • AS-14352
    • DA-30481
    • SY015872
    • D0969
    • NS00019824
    • ST50825495
    • 675D514
    • F040537
    • Q26840882
    • 5675-51-4

  • Applications

    1,12-Dodecanediol (CAS 5675-51-4) is primarily used as a diol component and chain extender in the synthesis of polyurethane and polyester polyols, imparting flexible, hydrophobic segments that influence hardness and low-temperature performance; it is commonly employed in polyurethane coatings, adhesives, and elastomeric resins as well as in flexible polyurethane foams, and it also serves as a building block for specialty polyols intended for automotive and electronics packaging applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.24
    methanol 305.29
    isopropanol 372.57
    water 0.04
    ethyl acetate 263.53
    n-propanol 367.01
    acetone 274.53
    n-butanol 402.51
    acetonitrile 100.81
    DMF 341.96
    toluene 82.86
    isobutanol 301.32
    1,4-dioxane 420.94
    methyl acetate 152.06
    THF 1315.66
    2-butanone 266.38
    n-pentanol 237.77
    sec-butanol 334.69
    n-hexane 126.67
    ethylene glycol 27.2
    NMP 431.12
    cyclohexane 274.89
    DMSO 928.66
    n-butyl acetate 402.32
    n-octanol 128.06
    chloroform 564.84
    n-propyl acetate 321.53
    acetic acid 187.98
    dichloromethane 495.18
    cyclohexanone 682.06
    propylene glycol 87.32
    isopropyl acetate 229.61
    DMAc 238.8
    2-ethoxyethanol 325.4
    isopentanol 355.16
    n-heptane 152.88
    ethyl formate 157.5
    1,2-dichloroethane 421.74
    n-hexanol 281.52
    2-methoxyethanol 512.04
    isobutyl acetate 211.67
    tetrachloromethane 165.37
    n-pentyl acetate 281.09
    transcutol 841.12
    n-heptanol 160.75
    ethylbenzene 70.46
    MIBK 245.05
    2-propoxyethanol 382.33
    tert-butanol 524.32
    MTBE 335.43
    2-butoxyethanol 310.35
    propionic acid 205.67
    o-xylene 74.41
    formic acid 36.82
    diethyl ether 386.47
    m-xylene 71.27
    p-xylene 91.03
    chlorobenzene 140.13
    dimethyl carbonate 49.49
    n-octane 39.33
    formamide 67.43
    cyclopentanone 774.57
    2-pentanone 352.65
    anisole 135.68
    cyclopentyl methyl ether 572.15
    gamma-butyrolactone 697.96
    1-methoxy-2-propanol 475.25
    pyridine 309.65
    3-pentanone 216.64
    furfural 442.52
    n-dodecane 15.67
    diethylene glycol 184.6
    diisopropyl ether 142.15
    tert-amyl alcohol 368.27
    acetylacetone 261.07
    n-hexadecane 18.7
    acetophenone 161.04
    methyl propionate 187.23
    isopentyl acetate 337.62
    trichloroethylene 577.89
    n-nonanol 119.66
    cyclohexanol 464.13
    benzyl alcohol 120.8
    2-ethylhexanol 225.56
    isooctanol 155.47
    dipropyl ether 528.06
    1,2-dichlorobenzene 163.7
    ethyl lactate 126.68
    propylene carbonate 362.76
    n-methylformamide 157.89
    2-pentanol 308.42
    n-pentane 100.81
    1-propoxy-2-propanol 425.39
    1-methoxy-2-propyl acetate 258.61
    2-(2-methoxypropoxy) propanol 175.59
    mesitylene 62.56
    ε-caprolactone 528.02
    p-cymene 80.91
    epichlorohydrin 623.57
    1,1,1-trichloroethane 381.78
    2-aminoethanol 115.37
    morpholine-4-carbaldehyde 391.1
    sulfolane 1067.59
    2,2,4-trimethylpentane 41.16
    2-methyltetrahydrofuran 769.17
    n-hexyl acetate 265.26
    isooctane 32.84
    2-(2-butoxyethoxy)ethanol 286.77
    sec-butyl acetate 222.34
    tert-butyl acetate 307.91
    decalin 64.81
    glycerin 123.77
    diglyme 589.49
    acrylic acid 122.22
    isopropyl myristate 104.87
    n-butyric acid 489.04
    acetyl acetate 133.41
    di(2-ethylhexyl) phthalate 76.66
    ethyl propionate 246.66
    nitromethane 255.66
    1,2-diethoxyethane 391.4
    benzonitrile 145.4
    trioctyl phosphate 77.17
    1-bromopropane 366.43
    gamma-valerolactone 762.39
    n-decanol 79.81
    triethyl phosphate 150.22
    4-methyl-2-pentanol 173.35
    propionitrile 174.66
    vinylene carbonate 227.48
    1,1,2-trichlorotrifluoroethane 468.62
    DMS 116.89
    cumene 61.51
    2-octanol 116.38
    2-hexanone 305.74
    octyl acetate 120.07
    limonene 166.02
    1,2-dimethoxyethane 573.59
    ethyl orthosilicate 158.48
    tributyl phosphate 101.09
    diacetone alcohol 333.59
    N,N-dimethylaniline 106.64
    acrylonitrile 148.59
    aniline 130.19
    1,3-propanediol 264.21
    bromobenzene 146.24
    dibromomethane 404.01
    1,1,2,2-tetrachloroethane 652.83
    2-methyl-cyclohexyl acetate 246.24
    tetrabutyl urea 130.66
    diisobutyl methanol 168.99
    2-phenylethanol 129.35
    styrene 80.04
    dioctyl adipate 158.26
    dimethyl sulfate 121.19
    ethyl butyrate 368.28
    methyl lactate 107.21
    butyl lactate 211.05
    diethyl carbonate 172.56
    propanediol butyl ether 209.08
    triethyl orthoformate 274.21
    p-tert-butyltoluene 81.6
    methyl 4-tert-butylbenzoate 183.56
    morpholine 701.02
    tert-butylamine 392.3
    n-dodecanol 58.02
    dimethoxymethane 271.72
    ethylene carbonate 237.65
    cyrene 184.48
    2-ethoxyethyl acetate 251.88
    2-ethylhexyl acetate 274.16
    1,2,4-trichlorobenzene 181.09
    4-methylpyridine 239.55
    dibutyl ether 302.95
    2,6-dimethyl-4-heptanol 168.99
    DEF 354.35
    dimethyl isosorbide 352.84
    tetrachloroethylene 489.05
    eugenol 151.69
    triacetin 228.43
    span 80 203.5
    1,4-butanediol 79.79
    1,1-dichloroethane 344.55
    2-methyl-1-pentanol 193.08
    methyl formate 90.28
    2-methyl-1-butanol 296.46
    n-decane 38.68
    butyronitrile 261.98
    3,7-dimethyl-1-octanol 141.12
    1-chlorooctane 125.77
    1-chlorotetradecane 38.94
    n-nonane 43.89
    undecane 22.59
    tert-butylcyclohexane 54.01
    cyclooctane 68.62
    cyclopentanol 526.25
    tetrahydropyran 890.56
    tert-amyl methyl ether 261.86
    2,5,8-trioxanonane 343.85
    1-hexene 239.01
    2-isopropoxyethanol 244.84
    2,2,2-trifluoroethanol 71.23
    methyl butyrate 366.42

    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