Salicin

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  • Identifiers

    CAS number
    138-52-3

    Molecular formula
    C13H18O7

    SMILES
    C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 61.35%
    Odorless 52.61%
    Vanilla 44.02%
    Bitter 26.67%
    Phenolic 25.74%
    Balsamic 25.44%
    Caramellic 24.17%
    Creamy 23.71%
    Milky 21.99%
    Almond 21.66%

     

    Flavor
    Sweet 67.29%
    Bitter 63.7%
    Odorless 39.65%
    Sweet-like 29.34%
    Vanilla 25.75%
    Very slight 21.98%
    Cauliflower 21.77%
    Naphthalic 21.68%
    Soup 20.86%
    Mild 20.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    6.28 (neutral)

    Molecular weight
    286.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1086°C

    Melting point expt.

    • 207 °C

    Flash point

    • 243.83 ˚C est.

    Solubility expt.

    • 40 mg/mL at 25 °C

  • Synonyms

    • salicin
    • 138-52-3
    • Salicoside
    • D-(-)-Salicin
    • Salicyl alcohol glucoside
    • D(-)-Salicin
    • 2-(Hydroxymethyl)phenyl beta-D-glucopyranoside
    • 2-(Hydroxymethyl)phenyl-beta-d-glucopyranoside
    • Saligenin beta-D-glucopyranoside
    • Salicinum
    • o-(Hydroxymethyl)phenyl beta-D-glucopyranoside
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
    • DTXSID10883326
    • NSC-5751
    • 4649620TBZ
    • CHEBI:17814
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-(hydroxymethyl)phenoxy)oxane-3,4,5-triol
    • RefChem:884384
    • DTXCID901022864
    • Salicine
    • (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol
    • Saligenin-beta-D-glucopyranoside
    • D-Salicin
    • MFCD00006590
    • C13H18O7
    • alpha-Hydroxy-o-tolyl beta-D-glucopyranoside
    • Benzyl alcohol, o-hydroxy-, o-glucoside
    • AI3-19099
    • SPECTRUM1502255
    • B-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
    • D-()-Salicin
    • SDCCGMLS-0066698.P001
    • NCGC00142605-01
    • NSC 5751
    • (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)-phenoxy)tetrahydro-2H-pyran-3,4,5-triol
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol
    • (2S,4S,5S,3R,6R)-6-(hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]-2H-3,4,5,6-tet rahydropyran-3,4,5-triol
    • SMR000112301
    • Salicin [USP]
    • SR-05000001594
    • Salicin (6CI,8CI)
    • EINECS 205-331-6
    • delta-Salicin
    • UNII-4649620TBZ
    • 2-(Hydroxymethyl)phenyl hexopyranoside
    • Salicin CRS
    • SA0
    • D-Salicin, natural
    • Salicin (Standard)
    • Saligenin glucoside;
    • Spectrum_001230
    • 2-(Hydroxymethyl)phenyl-.beta.-d-glucopyranoside
    • SALICIN [MI]
    • SALICINUM [HPUS]
    • 2-(Hydroxymethyl)phenyl b-D-glucopyranoside
    • Spectrum2_000756
    • Spectrum3_000948
    • Spectrum4_001058
    • Spectrum5_000971
    • D-()-Salicin;Salicoside
    • bmse000315
    • D-SALICIN [USP-RS]
    • SCHEMBL24936
    • KBioGR_001356
    • KBioSS_001710
    • Saligenin-b-D-glucopyranoside
    • MLS000563050
    • MLS001306490
    • DivK1c_000030
    • S0625_SIGMA
    • SPBio_000772
    • CHEMBL462997
    • MEGxp0_000685
    • orb1310611
    • Salicin (Salicoside, Salicine)
    • SCHEMBL29891411
    • ACon1_000373
    • GTPL12454
    • HMS500B12
    • HY-N0149R
    • KBio1_000030
    • KBio2_001710
    • KBio2_004278
    • KBio2_006846
    • KBio3_002016
    • NINDS_000030
    • GLXC-13826
    • HMS1921P08
    • HMS2092F14
    • HMS2268J11
    • HMS3884B15
    • Pharmakon1600-01502255
    • BB_NC-01429
    • HY-N0149
    • MSK40324
    • Saligenin beta-delta-glucopyranoside
    • Saligenin-beta-delta-glucopyranoside
    • D-(-)-Salicin, analytical standard
    • CCG-40332
    • NSC758201
    • s2351
    • SBB012498
    • ZINC03847505
    • AKOS004907439
    • AC-8042
    • CS-8027
    • D-(-)-Salicin, >=99% (GC)
    • EBC-378119
    • MS01266
    • NSC-758201
    • IDI1_000030
    • NCGC00142605-02
    • NCGC00142605-04
    • ST069327
    • SY038043
    • SALICYL ALCOHOL GLUCOSIDE [WHO-DD]
    • SBI-0051746.P002
    • 2(hydroxymethyl)phenyl-beta-D-glucopyranoside
    • NS00015239
    • S0003
    • SW219123-1
    • |A-D-Glucopyranoside, 2-(hydroxymethyl)phenyl
    • C01451
    • 2-(Hydroxymethyl)-phenyl-beta-D-glucopyranoside
    • 2-(hydroxymethyl)phenyl-O-beta-D-glucopyranoside
    • AB00052296_07
    • 138S523
    • 138-52-3

  • Applications

    Salicin (CAS 138-52-3) is primarily used as a natural-product precursor and starting material in pharmaceutical and chemical manufacturing, notably for the production of salicylic acid and related glycoside derivatives; it also serves as an industrial intermediate for salicylates and other phenolic glycosides. In analytical chemistry and biochemical research, salicin is employed as a standard substrate for hydrolysis and enzymatic assays involving glucosidases, and as a reference material for method development. In cosmetics and personal care research, it may be explored as a botanical glycoside source within plant-derived extracts for formulation studies, subject to regulatory and formulation limits. In plant sciences and agriculture, salicin is studied as a willow-derived metabolite, supporting natural product research and quality control of botanical materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.27
    methanol 18.88
    isopropanol 1.28
    water 44.82
    ethyl acetate 0.2
    n-propanol 1.4
    acetone 0.81
    n-butanol 1.23
    acetonitrile 0.38
    DMF 66.64
    toluene 0.58
    isobutanol 0.62
    1,4-dioxane 4.04
    methyl acetate 0.35
    THF 5.17
    2-butanone 0.46
    n-pentanol 0.46
    sec-butanol 0.92
    n-hexane 0.06
    ethylene glycol 85.64
    NMP 46.43
    cyclohexane 0.77
    DMSO 279.0
    n-butyl acetate 0.37
    n-octanol 1.48
    chloroform 0.12
    n-propyl acetate 0.25
    acetic acid 34.52
    dichloromethane 0.1
    cyclohexanone 2.57
    propylene glycol 26.44
    isopropyl acetate 0.35
    DMAc 62.14
    2-ethoxyethanol 14.76
    isopentanol 1.2
    n-heptane 0.37
    ethyl formate 0.69
    1,2-dichloroethane 0.25
    n-hexanol 1.21
    2-methoxyethanol 55.59
    isobutyl acetate 0.18
    tetrachloromethane 0.12
    n-pentyl acetate 0.65
    transcutol 44.83
    n-heptanol 2.07
    ethylbenzene 0.28
    MIBK 0.82
    2-propoxyethanol 10.98
    tert-butanol 2.54
    MTBE 0.46
    2-butoxyethanol 8.77
    propionic acid 4.05
    o-xylene 0.92
    formic acid 254.97
    diethyl ether 0.35
    m-xylene 0.71
    p-xylene 0.26
    chlorobenzene 0.16
    dimethyl carbonate 3.75
    n-octane 0.22
    formamide 200.05
    cyclopentanone 3.71
    2-pentanone 0.49
    anisole 0.85
    cyclopentyl methyl ether 2.26
    gamma-butyrolactone 6.15
    1-methoxy-2-propanol 26.09
    pyridine 1.96
    3-pentanone 0.57
    furfural 10.31
    n-dodecane 0.14
    diethylene glycol 45.99
    diisopropyl ether 0.28
    tert-amyl alcohol 1.84
    acetylacetone 2.6
    n-hexadecane 0.15
    acetophenone 1.7
    methyl propionate 0.92
    isopentyl acetate 0.5
    trichloroethylene 0.48
    n-nonanol 1.66
    cyclohexanol 3.53
    benzyl alcohol 2.25
    2-ethylhexanol 0.85
    isooctanol 1.64
    dipropyl ether 1.01
    1,2-dichlorobenzene 0.26
    ethyl lactate 3.82
    propylene carbonate 2.66
    n-methylformamide 22.0
    2-pentanol 0.75
    n-pentane 0.14
    1-propoxy-2-propanol 6.55
    1-methoxy-2-propyl acetate 3.0
    2-(2-methoxypropoxy) propanol 12.24
    mesitylene 0.61
    ε-caprolactone 2.89
    p-cymene 0.56
    epichlorohydrin 2.31
    1,1,1-trichloroethane 0.11
    2-aminoethanol 38.8
    morpholine-4-carbaldehyde 42.6
    sulfolane 38.04
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 1.45
    n-hexyl acetate 1.07
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 17.17
    sec-butyl acetate 0.21
    tert-butyl acetate 1.16
    decalin 0.14
    glycerin 131.77
    diglyme 26.21
    acrylic acid 11.71
    isopropyl myristate 0.71
    n-butyric acid 2.59
    acetyl acetate 0.79
    di(2-ethylhexyl) phthalate 1.71
    ethyl propionate 0.37
    nitromethane 17.03
    1,2-diethoxyethane 2.05
    benzonitrile 0.63
    trioctyl phosphate 1.46
    1-bromopropane 0.1
    gamma-valerolactone 12.92
    n-decanol 1.36
    triethyl phosphate 1.39
    4-methyl-2-pentanol 0.82
    propionitrile 0.32
    vinylene carbonate 2.61
    1,1,2-trichlorotrifluoroethane 24.49
    DMS 1.87
    cumene 0.27
    2-octanol 1.0
    2-hexanone 0.3
    octyl acetate 1.08
    limonene 0.87
    1,2-dimethoxyethane 8.77
    ethyl orthosilicate 1.24
    tributyl phosphate 1.22
    diacetone alcohol 7.62
    N,N-dimethylaniline 1.57
    acrylonitrile 0.95
    aniline 1.87
    1,3-propanediol 31.51
    bromobenzene 0.11
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.74
    2-methyl-cyclohexyl acetate 1.13
    tetrabutyl urea 2.69
    diisobutyl methanol 0.96
    2-phenylethanol 2.42
    styrene 0.25
    dioctyl adipate 1.78
    dimethyl sulfate 14.02
    ethyl butyrate 0.61
    methyl lactate 15.08
    butyl lactate 3.09
    diethyl carbonate 0.62
    propanediol butyl ether 13.14
    triethyl orthoformate 1.22
    p-tert-butyltoluene 0.63
    methyl 4-tert-butylbenzoate 5.85
    morpholine 7.31
    tert-butylamine 0.98
    n-dodecanol 1.1
    dimethoxymethane 12.71
    ethylene carbonate 1.74
    cyrene 18.86
    2-ethoxyethyl acetate 1.65
    2-ethylhexyl acetate 0.37
    1,2,4-trichlorobenzene 0.49
    4-methylpyridine 0.96
    dibutyl ether 0.67
    2,6-dimethyl-4-heptanol 0.96
    DEF 4.92
    dimethyl isosorbide 16.47
    tetrachloroethylene 0.96
    eugenol 6.83
    triacetin 4.0
    span 80 10.68
    1,4-butanediol 8.73
    1,1-dichloroethane 0.05
    2-methyl-1-pentanol 0.55
    methyl formate 10.42
    2-methyl-1-butanol 0.93
    n-decane 0.23
    butyronitrile 0.24
    3,7-dimethyl-1-octanol 1.23
    1-chlorooctane 0.37
    1-chlorotetradecane 0.23
    n-nonane 0.21
    undecane 0.17
    tert-butylcyclohexane 0.07
    cyclooctane 0.43
    cyclopentanol 2.99
    tetrahydropyran 1.39
    tert-amyl methyl ether 0.82
    2,5,8-trioxanonane 24.81
    1-hexene 0.09
    2-isopropoxyethanol 5.01
    2,2,2-trifluoroethanol 23.87
    methyl butyrate 0.52

    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