Ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4351-55-7

    Molecular formula
    C28H46O2

    SMILES
    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 81.7%
    Sandalwood 47.54%
    Amber 42.65%
    Balsamic 41.76%
    Dry 40.06%
    Waxy 39.37%
    Green 37.49%
    Oily 36.56%
    Vetiver 35.69%
    Herbal 34.93%

     

    Flavor
    Woody 44.92%
    Wood 35.75%
    Herb 31.97%
    Spice 31.17%
    Herbal 30.2%
    Waxy 28.98%
    Balsam 24.83%
    Fir needle 22.48%
    Fruity 22.26%
    Sandalwood 22.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    7.47 (neutral)

    Molecular weight
    414.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    488°C

    Flash point

    • 217.43 ˚C est.

  • Synonyms

    • Organic Ester
    • RefChem:388959
    • CHEBI:35701
    • Ester
    • Cholesterol Formate
    • 4351-55-7
    • Cholest-5-en-3beta-yl formate
    • MFCD00046243
    • Formic Acid Cholesterol Ester
    • [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
    • 5-Cholesten-3.beta.-ol formate
    • 3beta-Acetoxy-cholest-5-ene
    • EINECS 224-416-9
    • Cholest-5-en-3-ol (3.beta.)-, formate
    • cholesterol ester 14:0
    • cholesterol ester 14:1
    • cholesterol ester 15:0
    • cholesterol ester 15:1
    • cholesterol ester 16:0
    • cholesterol ester 17:0
    • cholesterol ester 18:0
    • cholesterol ester 20:0
    • cholesterol ester 20:6
    • cholesterol ester 22:0
    • cholesterol ester 22:2
    • cholesterol ester(22:2)
    • Cholest-5-en-3-yl formate
    • orb1744028
    • SCHEMBL1045464
    • SCHEMBL1354770
    • ChE 22:2
    • DTXSID30963018
    • CHEBI:183801
    • CHEBI:191860
    • CHEBI:191861
    • CHEBI:191862
    • CHEBI:191863
    • CHEBI:191864
    • CHEBI:191865
    • CHEBI:191866
    • CHEBI:191867
    • CHEBI:191868
    • CHEBI:191869
    • AKOS015837667
    • CE 20:6
    • EBC-617564
    • FC61968
    • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl formate
    • (3I(2))-cholest-5-en-3-yl methanoate
    • CE(20:6)
    • SY075638
    • Cholest-5-en-3-yl formate, (3.beta.)-
    • CS-0183060
    • NS00046461
    • 351C557
    • [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
    • 4351-55-7

  • Applications

    Ester (CAS 4351-55-7) is a broad class of organic compounds with wide industrial use, commonly serving as solvents for coatings, inks, and cleaners; as plasticizers for plastics and polymers; as fragrance and flavor components in perfumery and cosmetics; as synthetic intermediates for pharmaceuticals and other chemicals; and as mild solvents and emollients in personal care formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.1
    methanol 5.87
    isopropanol 20.62
    water 0.05
    ethyl acetate 50.28
    n-propanol 32.52
    acetone 36.2
    n-butanol 42.33
    acetonitrile 9.12
    DMF 23.17
    toluene 114.17
    isobutanol 25.19
    1,4-dioxane 84.28
    methyl acetate 24.6
    THF 149.38
    2-butanone 50.21
    n-pentanol 27.13
    sec-butanol 16.1
    n-hexane 2.96
    ethylene glycol 0.76
    NMP 51.31
    cyclohexane 9.83
    DMSO 10.92
    n-butyl acetate 53.72
    n-octanol 13.17
    chloroform 168.62
    n-propyl acetate 38.34
    acetic acid 12.91
    dichloromethane 114.48
    cyclohexanone 100.86
    propylene glycol 2.14
    isopropyl acetate 57.04
    DMAc 54.62
    2-ethoxyethanol 34.89
    isopentanol 38.59
    n-heptane 3.32
    ethyl formate 14.09
    1,2-dichloroethane 68.34
    n-hexanol 33.99
    2-methoxyethanol 33.71
    isobutyl acetate 40.85
    tetrachloromethane 25.45
    n-pentyl acetate 49.76
    transcutol 182.46
    n-heptanol 22.71
    ethylbenzene 35.11
    MIBK 54.75
    2-propoxyethanol 79.32
    tert-butanol 15.85
    MTBE 31.03
    2-butoxyethanol 54.31
    propionic acid 12.9
    o-xylene 47.88
    formic acid 2.95
    diethyl ether 57.84
    m-xylene 66.8
    p-xylene 38.24
    chlorobenzene 82.3
    dimethyl carbonate 16.93
    n-octane 1.0
    formamide 4.8
    cyclopentanone 88.03
    2-pentanone 62.09
    anisole 64.18
    cyclopentyl methyl ether 81.6
    gamma-butyrolactone 64.9
    1-methoxy-2-propanol 43.92
    pyridine 98.21
    3-pentanone 49.35
    furfural 56.09
    n-dodecane 0.68
    diethylene glycol 22.31
    diisopropyl ether 20.05
    tert-amyl alcohol 12.4
    acetylacetone 66.13
    n-hexadecane 0.85
    acetophenone 55.73
    methyl propionate 39.06
    isopentyl acetate 68.91
    trichloroethylene 137.99
    n-nonanol 16.51
    cyclohexanol 36.09
    benzyl alcohol 41.2
    2-ethylhexanol 25.93
    isooctanol 21.72
    dipropyl ether 38.39
    1,2-dichlorobenzene 69.29
    ethyl lactate 18.46
    propylene carbonate 41.88
    n-methylformamide 9.1
    2-pentanol 23.27
    n-pentane 4.17
    1-propoxy-2-propanol 61.35
    1-methoxy-2-propyl acetate 92.19
    2-(2-methoxypropoxy) propanol 47.3
    mesitylene 33.08
    ε-caprolactone 88.63
    p-cymene 25.0
    epichlorohydrin 98.28
    1,1,1-trichloroethane 64.08
    2-aminoethanol 4.26
    morpholine-4-carbaldehyde 66.86
    sulfolane 54.27
    2,2,4-trimethylpentane 2.5
    2-methyltetrahydrofuran 85.57
    n-hexyl acetate 47.12
    isooctane 2.57
    2-(2-butoxyethoxy)ethanol 66.11
    sec-butyl acetate 38.6
    tert-butyl acetate 61.98
    decalin 5.01
    glycerin 4.26
    diglyme 122.93
    acrylic acid 9.11
    isopropyl myristate 20.11
    n-butyric acid 41.85
    acetyl acetate 39.37
    di(2-ethylhexyl) phthalate 25.38
    ethyl propionate 35.83
    nitromethane 18.78
    1,2-diethoxyethane 64.7
    benzonitrile 40.9
    trioctyl phosphate 15.91
    1-bromopropane 53.95
    gamma-valerolactone 132.13
    n-decanol 10.81
    triethyl phosphate 27.22
    4-methyl-2-pentanol 20.96
    propionitrile 20.36
    vinylene carbonate 39.41
    1,1,2-trichlorotrifluoroethane 46.01
    DMS 34.16
    cumene 23.13
    2-octanol 11.65
    2-hexanone 40.6
    octyl acetate 23.76
    limonene 27.56
    1,2-dimethoxyethane 60.19
    ethyl orthosilicate 31.19
    tributyl phosphate 17.78
    diacetone alcohol 47.75
    N,N-dimethylaniline 41.21
    acrylonitrile 17.0
    aniline 66.26
    1,3-propanediol 17.01
    bromobenzene 96.8
    dibromomethane 86.74
    1,1,2,2-tetrachloroethane 103.42
    2-methyl-cyclohexyl acetate 48.6
    tetrabutyl urea 23.26
    diisobutyl methanol 17.62
    2-phenylethanol 55.53
    styrene 40.31
    dioctyl adipate 32.08
    dimethyl sulfate 21.58
    ethyl butyrate 48.0
    methyl lactate 15.36
    butyl lactate 36.91
    diethyl carbonate 30.43
    propanediol butyl ether 26.6
    triethyl orthoformate 47.32
    p-tert-butyltoluene 22.52
    methyl 4-tert-butylbenzoate 60.65
    morpholine 93.27
    tert-butylamine 12.39
    n-dodecanol 7.14
    dimethoxymethane 54.14
    ethylene carbonate 38.57
    cyrene 45.88
    2-ethoxyethyl acetate 78.88
    2-ethylhexyl acetate 57.04
    1,2,4-trichlorobenzene 81.28
    4-methylpyridine 100.44
    dibutyl ether 18.78
    2,6-dimethyl-4-heptanol 17.62
    DEF 50.95
    dimethyl isosorbide 89.5
    tetrachloroethylene 69.08
    eugenol 54.81
    triacetin 55.26
    span 80 39.1
    1,4-butanediol 6.11
    1,1-dichloroethane 62.23
    2-methyl-1-pentanol 26.98
    methyl formate 6.76
    2-methyl-1-butanol 31.46
    n-decane 1.61
    butyronitrile 29.3
    3,7-dimethyl-1-octanol 17.86
    1-chlorooctane 9.77
    1-chlorotetradecane 3.09
    n-nonane 1.26
    undecane 0.98
    tert-butylcyclohexane 3.81
    cyclooctane 3.53
    cyclopentanol 23.74
    tetrahydropyran 112.85
    tert-amyl methyl ether 24.12
    2,5,8-trioxanonane 72.14
    1-hexene 12.79
    2-isopropoxyethanol 34.09
    2,2,2-trifluoroethanol 7.13
    methyl butyrate 39.18

    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