Anise alcohol

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  • Identifiers

    CAS number
    105-13-5

    Molecular formula
    C8H10O2

    SMILES
    COC1=CC=C(C=C1)CO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1275.5
    • Carbowax: 2200.5

  • Odor profile

    Sweet 90.95%
    Floral 75.79%
    Anisic 68.89%
    Vanilla 67.66%
    Fruity 59.75%
    Cherry 51.35%
    Powdery 50.46%
    Aromatic 50.37%
    Balsamic 50.33%
    Hawthorn 49.16%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.26 (neutral)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 24 - 25 °C

    Boiling point

    • 259.00 to 260.00 °C. @ 760.00 mm Hg

    Flash point est.
    113.18 ˚C

    Solubility expt.

    • 2 mg/mL at 20 °C
    • insoluble in water; poorly soluble in glycols, glycerol; soluble in organic solvents, oils
    • miscible above 20� (in ethanol)

  • Synonyms

    • 4-METHOXYBENZYL ALCOHOL
    • 105-13-5
    • (4-Methoxyphenyl)methanol
    • Anisyl alcohol
    • Anise alcohol
    • p-Methoxybenzyl alcohol
    • p-Anisyl alcohol
    • Benzenemethanol, 4-methoxy-
    • Anisic alcohol
    • p-Anisol alcohol
    • 4-Methoxybenzenemethanol
    • Benzyl alcohol, p-methoxy-
    • Anis alcohol
    • Anisalcohol, p-
    • 4-Methoxybenzylalcohol
    • FEMA No. 2099
    • Anisyl alcohol (natural)
    • NSC 2151
    • CCRIS 5111
    • 4-Anisylalcohol
    • EINECS 203-273-6
    • MFCD00004653
    • BRN 0636654
    • 7N6XGV3U49
    • DTXSID6044357
    • AI3-01170
    • p-methoxy-benzyl alcohol
    • NSC-2151
    • para-methoxybenzyl alcohol
    • (4-methoxyphenyl)-methanol
    • ANISE ALCOHOL [MI]
    • (4-Methoxy-phenyl)-methanol
    • ANISYL ALCOHOL [FCC]
    • ANISYL ALCOHOL [FHFI]
    • DTXCID4024357
    • PARA METHOXYBENZYL ALCOHOL
    • EC 203-273-6
    • 4-06-00-05909 (Beilstein Handbook Reference)
    • (4-(METHYLOXY)PHENYL)METHANOL
    • A1BDD
    • [4-(methyloxy)phenyl]methanol
    • UNII-7N6XGV3U49
    • Anisalkohol
    • p-anisalcohol
    • pAnisol alcohol
    • pAnisyl alcohol
    • Anisalcohol, p
    • ar-anisyl alcohol
    • JandaJel(TM)-Wang
    • p-methoxybenzylalcohol
    • pMethoxybenzyl alcohol
    • 4methoxybenzyl alcohol
    • 4Methoxybenzenemethanol
    • 4-methoxyphenylmethanol
    • 4-methoxy-benzylalcohol
    • 4-methoxylbenzyl alcohol
    • 4-methyoxybenzyl alcohol
    • (4Methoxyphenyl)methanol
    • Benzyl alcohol, pmethoxy
    • 4-methoxy-benzenemethanol
    • 4-methoxy-benzyl alcohol
    • 4-(Hydroxymethyl)anisole
    • Benzenemethanol, 4methoxy
    • bmse010025
    • DSSTox_CID_24357
    • DSSTox_RID_82376
    • 4-methoxyphenylmethyl alcohol
    • DSSTox_GSID_47486
    • SCHEMBL27329
    • WLN: Q1R DO1
    • (4-Methoxyphenyl)methanol #
    • ANISE ALCOHOL [INCI]
    • p-Anisyl alcohol;Anise alcohol
    • 4-Methoxybenzyl alcohol, 98%
    • CHEMBL294431
    • FEMA 2099
    • NSC2151
    • 1-methoxy-4-hydroxymethyl-benzene
    • CHEBI:193647
    • BENZENEMETHANOL,AR-METHOXY-
    • BCP26725
    • STR00774
    • Tox21_301115
    • Tox21_302521
    • BBL027471
    • STL146342
    • Anisyl alcohol, >=98%, FCC, FG
    • AKOS000249369
    • Anisyl alcohol, natural, >=98%, FG
    • CS-W016493
    • FM47002
    • HY-W015777
    • PB47798
    • PS-4037
    • NCGC00248292-01
    • NCGC00255015-01
    • NCGC00256684-01
    • CAS-105-13-5
    • CAS-1331-81-3
    • 4-METHOXY-[7-13C]-BENZYL ALCOHOL
    • DB-003500
    • 4-Methoxybenzyl alcohol, analytical standard
    • M0107
    • NS00009442
    • EN300-16200
    • Anisyl alcohol 1000 microg/mL in Acetonitrile
    • D77792
    • Q548873
    • Z54603098
    • F0001-0102
    • 203-273-6
    • JandaJel(TM)-Wang, 100-200 mesh, extent of labeling: 1.0 mmol/g loading, 2 % cross-linked

  • Applications

    Anisyl alcohol (p-methoxybenzyl alcohol), CAS 105-13-5, is a versatile fragrance ingredient with a soft, sweet, floral-powdery, pear-like odour, therefore widely employed as a perfuming agent in fine fragrances, deodorants, air fresheners, scented candles and personal-care items such as creams, shampoos, shower gels and lip balms; in household care it imparts a pleasant scent to soaps, detergents, dishwashing liquids and fabric softeners and remains stable under alkaline washing conditions, allowing the note to persist after laundering; in the food industry it is permitted at controlled levels as a flavour additive introducing fruity and vanilla nuances to confectionery, beverages and baked goods; moreover, the molecule serves as an intermediate for the synthesis of anisaldehyde, anisic acid, dyes, agrochemicals and pharmaceuticals, and functions as a fragrance modifier and fixative that prolongs the diffusion of natural essential oils in blends; thanks to its good solubility in organic media, low toxicity and compliance with IFRA and EU regulations, anisyl alcohol is readily incorporated into a broad array of formulations and stands as a key building block in the modern aroma and cosmetic value chain.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 799.31
    methanol 954.04
    isopropanol 434.69
    water 7.65
    ethyl acetate 534.29
    n-propanol 587.0
    acetone 358.12
    n-butanol 470.86
    acetonitrile 638.42
    DMF 590.3
    toluene 78.11
    isobutanol 289.93
    1,4-dioxane 1078.15
    methyl acetate 498.26
    THF 763.48
    2-butanone 342.81
    n-pentanol 251.08
    sec-butanol 329.27
    n-hexane 8.04
    ethylene glycol 273.16
    NMP 328.43
    cyclohexane 28.01
    DMSO 1179.44
    n-butyl acetate 190.28
    n-octanol 52.34
    chloroform 540.08
    n-propyl acetate 224.17
    acetic acid 946.86
    dichloromethane 648.88
    cyclohexanone 303.79
    propylene glycol 284.62
    isopropyl acetate 155.51
    DMAc 410.23
    2-ethoxyethanol 600.8
    isopentanol 267.7
    n-heptane 12.47
    ethyl formate 361.9
    1,2-dichloroethane 437.56
    n-hexanol 173.07
    2-methoxyethanol 1041.12
    isobutyl acetate 88.81
    tetrachloromethane 89.51
    n-pentyl acetate 71.38
    transcutol 1253.05
    n-heptanol 61.78
    ethylbenzene 32.37
    MIBK 114.61
    2-propoxyethanol 330.96
    tert-butanol 512.84
    MTBE 275.83
    2-butoxyethanol 162.43
    propionic acid 488.61
    o-xylene 52.85
    formic acid 694.57
    diethyl ether 445.4
    m-xylene 48.63
    p-xylene 39.51
    chlorobenzene 139.41
    dimethyl carbonate 136.02
    n-octane 3.45
    formamide 1184.62
    cyclopentanone 360.39
    2-pentanone 242.72
    anisole 174.9
    cyclopentyl methyl ether 262.92
    gamma-butyrolactone 556.33
    1-methoxy-2-propanol 478.43
    pyridine 557.2
    3-pentanone 173.36
    furfural 558.84
    n-dodecane 2.82
    diethylene glycol 366.58
    diisopropyl ether 60.5
    tert-amyl alcohol 321.29
    acetylacetone 255.0
    n-hexadecane 3.2
    acetophenone 130.85
    methyl propionate 320.02
    isopentyl acetate 130.5
    trichloroethylene 731.84
    n-nonanol 46.52
    cyclohexanol 245.85
    benzyl alcohol 162.63
    2-ethylhexanol 85.06
    isooctanol 48.13
    dipropyl ether 126.96
    1,2-dichlorobenzene 115.81
    ethyl lactate 103.24
    propylene carbonate 244.9
    n-methylformamide 715.33
    2-pentanol 222.12
    n-pentane 14.11
    1-propoxy-2-propanol 202.85
    1-methoxy-2-propyl acetate 181.04
    2-(2-methoxypropoxy) propanol 169.24
    mesitylene 31.78
    ε-caprolactone 298.4
    p-cymene 28.25
    epichlorohydrin 708.42
    1,1,1-trichloroethane 241.24
    2-aminoethanol 502.81
    morpholine-4-carbaldehyde 582.69
    sulfolane 532.94
    2,2,4-trimethylpentane 9.44
    2-methyltetrahydrofuran 517.86
    n-hexyl acetate 90.32
    isooctane 6.35
    2-(2-butoxyethoxy)ethanol 238.6
    sec-butyl acetate 106.05
    tert-butyl acetate 155.14
    decalin 8.85
    glycerin 403.99
    diglyme 571.52
    acrylic acid 441.63
    isopropyl myristate 35.95
    n-butyric acid 542.75
    acetyl acetate 233.0
    di(2-ethylhexyl) phthalate 42.73
    ethyl propionate 157.65
    nitromethane 1291.84
    1,2-diethoxyethane 280.24
    benzonitrile 164.06
    trioctyl phosphate 29.61
    1-bromopropane 170.63
    gamma-valerolactone 545.74
    n-decanol 32.88
    triethyl phosphate 67.95
    4-methyl-2-pentanol 82.99
    propionitrile 372.63
    vinylene carbonate 264.14
    1,1,2-trichlorotrifluoroethane 557.89
    DMS 107.15
    cumene 24.03
    2-octanol 32.28
    2-hexanone 159.16
    octyl acetate 45.16
    limonene 46.43
    1,2-dimethoxyethane 664.37
    ethyl orthosilicate 70.37
    tributyl phosphate 41.22
    diacetone alcohol 216.32
    N,N-dimethylaniline 90.2
    acrylonitrile 454.97
    aniline 259.43
    1,3-propanediol 648.7
    bromobenzene 113.37
    dibromomethane 330.96
    1,1,2,2-tetrachloroethane 482.68
    2-methyl-cyclohexyl acetate 83.23
    tetrabutyl urea 50.32
    diisobutyl methanol 46.37
    2-phenylethanol 112.97
    styrene 52.0
    dioctyl adipate 70.64
    dimethyl sulfate 212.44
    ethyl butyrate 146.63
    methyl lactate 149.19
    butyl lactate 69.18
    diethyl carbonate 107.2
    propanediol butyl ether 138.62
    triethyl orthoformate 105.73
    p-tert-butyltoluene 26.63
    methyl 4-tert-butylbenzoate 93.37
    morpholine 1219.92
    tert-butylamine 256.68
    n-dodecanol 24.76
    dimethoxymethane 429.65
    ethylene carbonate 232.15
    cyrene 149.09
    2-ethoxyethyl acetate 153.73
    2-ethylhexyl acetate 96.69
    1,2,4-trichlorobenzene 148.65
    4-methylpyridine 309.62
    dibutyl ether 69.48
    2,6-dimethyl-4-heptanol 46.37
    DEF 329.48
    dimethyl isosorbide 235.11
    tetrachloroethylene 346.71
    eugenol 104.92
    triacetin 139.33
    span 80 115.53
    1,4-butanediol 196.59
    1,1-dichloroethane 289.21
    2-methyl-1-pentanol 156.87
    methyl formate 440.53
    2-methyl-1-butanol 246.88
    n-decane 4.85
    butyronitrile 330.52
    3,7-dimethyl-1-octanol 56.9
    1-chlorooctane 26.79
    1-chlorotetradecane 9.99
    n-nonane 4.49
    undecane 3.49
    tert-butylcyclohexane 8.59
    cyclooctane 8.01
    cyclopentanol 263.0
    tetrahydropyran 656.92
    tert-amyl methyl ether 163.27
    2,5,8-trioxanonane 347.23
    1-hexene 41.82
    2-isopropoxyethanol 281.78
    2,2,2-trifluoroethanol 282.88
    methyl butyrate 220.84

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0028 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.033 %
Category 2
Products applied to the axillae
 0.039 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.033 %
Category 3
Products applied to the face/body using fingertips
 0.025 % Category 8
Products with significant anogenital exposure
 0.002 %
Category 4
Products related to fine fragrance
 0.21 % Category 9
Products with body and hand exposure, primarily rinse off
 0.099 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.041 % Category 10A
Household care products with mostly hand contact
 0.099 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.0055 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.17 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.033 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.002 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.002 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.002 %
Category 6
Products with oral and lip exposure
 0.091 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 14 %

Botanical

Name CAS Botanical Proportion
Anise (Spain) 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.4%
Anise (Turkey) 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.35%
Anise (USSR) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 3.5%
Anise (Egypt) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.22%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.02%
Illicium griffithii Illicium griffithii Hook. f. et Thoms., fam. Magnoliaceae (Illiciaceae) 0.4%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.9%
Santolina insularis (Italy) 1a CO2-extract Santolina insularis L., fam. Asteraceae (Compositae) 1.0%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.2%