Pentan-2-YL dodecanoate

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  • Identifiers

    CAS number
    55195-18-1

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCCCC(=O)OC(C)CCC

  • Odor profile

    Fragrance
    Oily 75.18%
    Fatty 71.67%
    Fruity 67.62%
    Waxy 63.07%
    Winey 52.55%
    Cognac 48.74%
    Floral 41.68%
    Creamy 40.61%
    Brandy 38.03%
    Fermented 35.81%

     

    Flavor
    Oily 55.54%
    Waxy 55.36%
    Fatty 46.54%
    Fruity 42.03%
    Soapy 40.05%
    Mild 35.95%
    Fat 33.32%
    Coconut 33.18%
    Floral 32.85%
    Creamy 31.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    7.14 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 134.43 ˚C est.

  • Synonyms

    • PENTAN-2-YL DODECANOATE
    • 2-Pentyl dodecanoate
    • 55195-18-1
    • 1-methylbutyl dodecanoate
    • DTXSID50787753
    • MMMPIDDNNZYIOB-UHFFFAOYSA-N

  • Applications

    Pentan-2-YL dodecanoate is commonly used as an emollient and solvent in cosmetics and personal care formulations, helping to condition the skin and act as a carrier for fragrance ingredients; in perfumery and fragrance applications it can serve as a carrier or base solvent that supports scent release; in household products it acts as a lubricating oil and solvent to support formulation stability; in coatings and inks it may function as a plasticizer or processing aid to improve flexibility and film formation; in polymers and plastics it is used as a plasticizing additive to modulate softness and processing behavior.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6348.4
    methanol 4811.81
    isopropanol 7500.55
    water 0.1
    ethyl acetate 11645.07
    n-propanol 6847.74
    acetone 14120.45
    n-butanol 6787.63
    acetonitrile 5893.77
    DMF 8186.2
    toluene 4144.62
    isobutanol 6310.5
    1,4-dioxane 9745.79
    methyl acetate 6761.46
    THF 15926.86
    2-butanone 10966.82
    n-pentanol 4285.17
    sec-butanol 7152.83
    n-hexane 3564.72
    ethylene glycol 177.26
    NMP 8643.29
    cyclohexane 6864.18
    DMSO 7558.72
    n-butyl acetate 9834.84
    n-octanol 2244.73
    chloroform 14713.25
    n-propyl acetate 9494.16
    acetic acid 3381.56
    dichloromethane 15389.84
    cyclohexanone 20344.76
    propylene glycol 592.68
    isopropyl acetate 8756.98
    DMAc 7075.3
    2-ethoxyethanol 3792.42
    isopentanol 6795.66
    n-heptane 1582.28
    ethyl formate 4617.8
    1,2-dichloroethane 12158.4
    n-hexanol 3770.82
    2-methoxyethanol 5482.14
    isobutyl acetate 5256.06
    tetrachloromethane 3329.78
    n-pentyl acetate 7322.06
    transcutol 11617.53
    n-heptanol 2017.02
    ethylbenzene 2355.21
    MIBK 7066.1
    2-propoxyethanol 4509.1
    tert-butanol 8266.31
    MTBE 12544.44
    2-butoxyethanol 3207.13
    propionic acid 3840.13
    o-xylene 2445.07
    formic acid 389.32
    diethyl ether 13505.09
    m-xylene 2468.21
    p-xylene 3450.29
    chlorobenzene 5542.32
    dimethyl carbonate 1340.3
    n-octane 559.94
    formamide 887.27
    cyclopentanone 14241.4
    2-pentanone 11787.66
    anisole 3460.82
    cyclopentyl methyl ether 11195.38
    gamma-butyrolactone 11088.44
    1-methoxy-2-propanol 5163.48
    pyridine 10327.13
    3-pentanone 7181.34
    furfural 6441.32
    n-dodecane 253.48
    diethylene glycol 1421.31
    diisopropyl ether 4325.88
    tert-amyl alcohol 7459.85
    acetylacetone 8268.62
    n-hexadecane 320.8
    acetophenone 3476.37
    methyl propionate 6130.98
    isopentyl acetate 8546.54
    trichloroethylene 15679.21
    n-nonanol 1915.93
    cyclohexanol 9060.87
    benzyl alcohol 2244.35
    2-ethylhexanol 3394.76
    isooctanol 1970.26
    dipropyl ether 6848.62
    1,2-dichlorobenzene 4763.04
    ethyl lactate 1744.61
    propylene carbonate 6369.17
    n-methylformamide 3574.18
    2-pentanol 5989.15
    n-pentane 2304.0
    1-propoxy-2-propanol 4884.31
    1-methoxy-2-propyl acetate 5535.73
    2-(2-methoxypropoxy) propanol 2103.08
    mesitylene 1745.46
    ε-caprolactone 14003.33
    p-cymene 1492.95
    epichlorohydrin 11679.85
    1,1,1-trichloroethane 12318.74
    2-aminoethanol 965.98
    morpholine-4-carbaldehyde 7108.13
    sulfolane 10773.42
    2,2,4-trimethylpentane 816.55
    2-methyltetrahydrofuran 17081.2
    n-hexyl acetate 7626.86
    isooctane 593.0
    2-(2-butoxyethoxy)ethanol 3306.61
    sec-butyl acetate 6722.41
    tert-butyl acetate 8602.66
    decalin 1583.24
    glycerin 581.56
    diglyme 7180.02
    acrylic acid 1913.1
    isopropyl myristate 2174.33
    n-butyric acid 9386.81
    acetyl acetate 4768.66
    di(2-ethylhexyl) phthalate 1269.35
    ethyl propionate 7216.82
    nitromethane 6943.99
    1,2-diethoxyethane 8078.43
    benzonitrile 4263.6
    trioctyl phosphate 1085.03
    1-bromopropane 10691.05
    gamma-valerolactone 14857.15
    n-decanol 1179.38
    triethyl phosphate 1770.13
    4-methyl-2-pentanol 2960.61
    propionitrile 5837.46
    vinylene carbonate 4744.2
    1,1,2-trichlorotrifluoroethane 5189.75
    DMS 3161.62
    cumene 1530.01
    2-octanol 1978.84
    2-hexanone 7987.79
    octyl acetate 2613.73
    limonene 3378.4
    1,2-dimethoxyethane 9778.45
    ethyl orthosilicate 1921.96
    tributyl phosphate 1552.0
    diacetone alcohol 5567.86
    N,N-dimethylaniline 2324.4
    acrylonitrile 4621.17
    aniline 3684.75
    1,3-propanediol 2332.35
    bromobenzene 6575.55
    dibromomethane 12129.06
    1,1,2,2-tetrachloroethane 13825.28
    2-methyl-cyclohexyl acetate 3860.86
    tetrabutyl urea 2145.05
    diisobutyl methanol 1986.96
    2-phenylethanol 2213.67
    styrene 3140.39
    dioctyl adipate 2742.72
    dimethyl sulfate 1921.31
    ethyl butyrate 7169.65
    methyl lactate 1509.9
    butyl lactate 3245.02
    diethyl carbonate 3069.43
    propanediol butyl ether 2346.94
    triethyl orthoformate 3979.73
    p-tert-butyltoluene 1365.87
    methyl 4-tert-butylbenzoate 2688.74
    morpholine 14368.59
    tert-butylamine 6265.43
    n-dodecanol 840.68
    dimethoxymethane 5104.94
    ethylene carbonate 5486.19
    cyrene 1693.05
    2-ethoxyethyl acetate 5749.92
    2-ethylhexyl acetate 6633.45
    1,2,4-trichlorobenzene 4957.81
    4-methylpyridine 10634.92
    dibutyl ether 7155.42
    2,6-dimethyl-4-heptanol 1986.96
    DEF 11072.96
    dimethyl isosorbide 3895.86
    tetrachloroethylene 9149.91
    eugenol 2009.84
    triacetin 4055.1
    span 80 2446.09
    1,4-butanediol 843.16
    1,1-dichloroethane 13204.81
    2-methyl-1-pentanol 4053.98
    methyl formate 2018.75
    2-methyl-1-butanol 6086.64
    n-decane 639.8
    butyronitrile 8256.78
    3,7-dimethyl-1-octanol 2465.44
    1-chlorooctane 2671.86
    1-chlorotetradecane 745.63
    n-nonane 710.75
    undecane 367.06
    tert-butylcyclohexane 1182.37
    cyclooctane 1453.38
    cyclopentanol 7994.52
    tetrahydropyran 21671.26
    tert-amyl methyl ether 7769.18
    2,5,8-trioxanonane 3429.39
    1-hexene 7662.42
    2-isopropoxyethanol 3399.79
    2,2,2-trifluoroethanol 887.88
    methyl butyrate 10614.39

    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