Anisyl butyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6963-56-0

    Molecular formula
    C12H16O3

    SMILES
    CCCC(=O)OCC1=CC=C(C=C1)OC

    Retention indicies (RI)

    • Carbowax: 2274.0

  • Odor profile

    Fruity 96.2%
    Sweet 82.5%
    Floral 75.89%
    Cherry 46.96%
    Berry 45.68%
    Tropical 42.46%
    Anisic 41.76%
    Plum 41.04%
    Apricot 40.89%
    Pineapple 35.86%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.74 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 270.00 °C. @ 760.00 mm Hg

    Flash point est.
    121.29 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Anisyl butyrate
    • 6963-56-0
    • (4-Methoxyphenyl)methyl butanoate
    • 4-Methoxybenzyl butyrate
    • Butyric acid, p-methoxybenzyl ester
    • Butanoic acid, (4-methoxyphenyl)methyl ester
    • p-Methoxybenzyl butyrate
    • Benzyl alcohol, p-methoxy-, butyrate
    • Methoxybenzyl butyrate, p-
    • FEMA No. 2100
    • 4-Methoxybenzyl butanoate
    • Z8T0G5UDPH
    • Methoxybenzyl alcohol butyrate, p-
    • EINECS 230-163-5
    • NSC 53797
    • UNII-Z8T0G5UDPH
    • NSC-53797
    • ANISYL BUTYRATE [FHFI]
    • DTXSID2064523
    • ANISYL BUTYRATE [USP-RS]
    • Butyric acid, p-methoxybenzyl ester (8CI)
    • ANISYL BUTYRATE (USP-RS)
    • para-anisyl butyrate
    • 4-Methoxybenzyl butyrate #
    • SCHEMBL357272
    • p-Methoxybenzyl alcohol butyrate
    • DTXCID3046538
    • FEMA 2100
    • CHEBI:173598
    • NSC53797
    • AKOS024324114
    • DB-220138
    • NS00011987
    • Q27295150
    • Anisyl butyrate, United States Pharmacopeia (USP) Reference Standard
    • 230-163-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 750.0
    methanol 1036.14
    isopropanol 412.82
    water 0.7
    ethyl acetate 909.37
    n-propanol 434.7
    acetone 519.85
    n-butanol 363.97
    acetonitrile 951.8
    DMF 345.44
    toluene 188.85
    isobutanol 233.73
    1,4-dioxane 1269.05
    methyl acetate 577.53
    THF 644.87
    2-butanone 410.22
    n-pentanol 286.61
    sec-butanol 313.09
    n-hexane 9.82
    ethylene glycol 113.26
    NMP 215.28
    cyclohexane 26.57
    DMSO 813.52
    n-butyl acetate 322.53
    n-octanol 73.97
    chloroform 1748.69
    n-propyl acetate 356.18
    acetic acid 832.84
    dichloromethane 1934.12
    cyclohexanone 477.61
    propylene glycol 175.99
    isopropyl acetate 300.29
    DMAc 439.93
    2-ethoxyethanol 625.66
    isopentanol 273.14
    n-heptane 6.56
    ethyl formate 338.63
    1,2-dichloroethane 1032.89
    n-hexanol 165.63
    2-methoxyethanol 831.58
    isobutyl acetate 188.06
    tetrachloromethane 95.0
    n-pentyl acetate 123.74
    transcutol 1503.69
    n-heptanol 65.95
    ethylbenzene 105.15
    MIBK 179.07
    2-propoxyethanol 350.66
    tert-butanol 540.21
    MTBE 346.33
    2-butoxyethanol 173.26
    propionic acid 371.22
    o-xylene 112.28
    formic acid 299.56
    diethyl ether 525.49
    m-xylene 107.57
    p-xylene 139.84
    chlorobenzene 301.15
    dimethyl carbonate 144.83
    n-octane 4.46
    formamide 519.68
    cyclopentanone 390.45
    2-pentanone 303.15
    anisole 284.14
    cyclopentyl methyl ether 233.3
    gamma-butyrolactone 522.52
    1-methoxy-2-propanol 442.36
    pyridine 689.45
    3-pentanone 225.32
    furfural 569.26
    n-dodecane 5.88
    diethylene glycol 327.31
    diisopropyl ether 74.62
    tert-amyl alcohol 365.44
    acetylacetone 426.14
    n-hexadecane 6.81
    acetophenone 249.62
    methyl propionate 351.95
    isopentyl acetate 248.44
    trichloroethylene 1721.58
    n-nonanol 69.94
    cyclohexanol 257.52
    benzyl alcohol 255.69
    2-ethylhexanol 92.99
    isooctanol 60.23
    dipropyl ether 107.95
    1,2-dichlorobenzene 274.06
    ethyl lactate 140.95
    propylene carbonate 328.57
    n-methylformamide 291.41
    2-pentanol 201.86
    n-pentane 7.37
    1-propoxy-2-propanol 211.94
    1-methoxy-2-propyl acetate 262.83
    2-(2-methoxypropoxy) propanol 224.47
    mesitylene 64.03
    ε-caprolactone 446.81
    p-cymene 52.24
    epichlorohydrin 843.16
    1,1,1-trichloroethane 589.09
    2-aminoethanol 263.14
    morpholine-4-carbaldehyde 499.34
    sulfolane 451.11
    2,2,4-trimethylpentane 10.7
    2-methyltetrahydrofuran 431.26
    n-hexyl acetate 175.88
    isooctane 7.64
    2-(2-butoxyethoxy)ethanol 313.25
    sec-butyl acetate 208.34
    tert-butyl acetate 264.08
    decalin 19.11
    glycerin 246.78
    diglyme 624.22
    acrylic acid 311.91
    isopropyl myristate 70.24
    n-butyric acid 533.94
    acetyl acetate 433.18
    di(2-ethylhexyl) phthalate 77.44
    ethyl propionate 272.12
    nitromethane 1292.0
    1,2-diethoxyethane 393.35
    benzonitrile 293.73
    trioctyl phosphate 47.92
    1-bromopropane 374.05
    gamma-valerolactone 592.63
    n-decanol 52.26
    triethyl phosphate 105.37
    4-methyl-2-pentanol 98.77
    propionitrile 434.16
    vinylene carbonate 364.82
    1,1,2-trichlorotrifluoroethane 527.24
    DMS 206.35
    cumene 66.84
    2-octanol 48.66
    2-hexanone 254.27
    octyl acetate 86.34
    limonene 69.43
    1,2-dimethoxyethane 793.44
    ethyl orthosilicate 98.98
    tributyl phosphate 74.26
    diacetone alcohol 270.24
    N,N-dimethylaniline 152.49
    acrylonitrile 530.48
    aniline 279.67
    1,3-propanediol 421.22
    bromobenzene 316.83
    dibromomethane 1023.4
    1,1,2,2-tetrachloroethane 1194.49
    2-methyl-cyclohexyl acetate 149.6
    tetrabutyl urea 89.12
    diisobutyl methanol 59.1
    2-phenylethanol 180.37
    styrene 157.5
    dioctyl adipate 123.04
    dimethyl sulfate 190.48
    ethyl butyrate 221.06
    methyl lactate 149.41
    butyl lactate 111.24
    diethyl carbonate 181.44
    propanediol butyl ether 172.46
    triethyl orthoformate 145.21
    p-tert-butyltoluene 49.22
    methyl 4-tert-butylbenzoate 163.72
    morpholine 1168.77
    tert-butylamine 249.27
    n-dodecanol 41.07
    dimethoxymethane 409.32
    ethylene carbonate 308.26
    cyrene 194.13
    2-ethoxyethyl acetate 239.22
    2-ethylhexyl acetate 176.98
    1,2,4-trichlorobenzene 307.12
    4-methylpyridine 510.42
    dibutyl ether 118.89
    2,6-dimethyl-4-heptanol 59.1
    DEF 331.27
    dimethyl isosorbide 315.2
    tetrachloroethylene 699.86
    eugenol 180.14
    triacetin 225.39
    span 80 157.89
    1,4-butanediol 169.43
    1,1-dichloroethane 803.48
    2-methyl-1-pentanol 232.28
    methyl formate 248.18
    2-methyl-1-butanol 240.7
    n-decane 8.7
    butyronitrile 403.82
    3,7-dimethyl-1-octanol 82.81
    1-chlorooctane 49.81
    1-chlorotetradecane 22.32
    n-nonane 7.32
    undecane 6.87
    tert-butylcyclohexane 17.11
    cyclooctane 6.83
    cyclopentanol 198.3
    tetrahydropyran 694.7
    tert-amyl methyl ether 205.27
    2,5,8-trioxanonane 430.11
    1-hexene 76.9
    2-isopropoxyethanol 342.14
    2,2,2-trifluoroethanol 205.89
    methyl butyrate 380.45

    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
Anise (Colombia) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.19%