Populin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    99-17-2

    Molecular formula
    C20H22O8

    SMILES
    C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.45%
    Odorless 45.63%
    Balsamic 39.89%
    Vanilla 39.62%
    Bitter 27.0%
    Spicy 26.85%
    Powdery 23.46%
    Aromatic 23.0%
    Phenolic 22.56%
    Floral 21.96%

     

    Flavor
    Bitter 72.74%
    Sweet 35.89%
    Odorless 29.65%
    Sweet-like 26.0%
    Bland 25.41%
    Naphthalic 21.26%
    Ethyl benzoate 21.1%
    Balsam 20.99%
    Orange flower 20.92%
    Aniseed 20.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    6.07 (neutral)

    Molecular weight
    390.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1236°C

    Flash point

    • 246.55 ˚C est.

  • Synonyms

    • Populin
    • 99-17-2
    • XC8BY5AX02
    • DTXSID90878492
    • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
    • NSC-128308
    • 2-(Hydroxymethyl)phenyl-beta-D-glucopyranoside 6-benzoate
    • beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate
    • ((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-(hydroxymethyl)phenoxy)oxan-2-yl)methyl benzoate
    • RefChem:175262
    • DTXCID701016538
    • 202-737-5
    • Populine
    • Salicin, 6'-benzoate
    • SALICIN BENZOATE
    • UNII-XC8BY5AX02
    • 6'-Benzoylsalicin
    • EINECS 202-737-5
    • Populin (8CI)
    • NSC 128308
    • POPULIN [MI]
    • SALICIN 6-BENZOATE
    • SALICIN 6'-BENZOATE
    • CHEBI:8333
    • orb1992719
    • SCHEMBL2534979
    • 2-(Hydroxymethyl)phenyl 6-O-benzoyl-beta-D-glucopyranoside
    • NSC 128308; Populoside; Salicin 6-benzoate; Salicin 6'-benzoate; Salicin benzoate
    • AKOS040733990
    • MP65932
    • NCGC00385104-01
    • NS00041385
    • Q15424801
    • 2-(hydroxymethyl)phenyl beta-d-glucopyranoside 6-benzoate
    • .beta.-D-Glucopyranoside, 2-(hydroxymethyl)phenyl, 6-benzoate
    • 2-(HYDROXYMETHYL)PHENYL-.BETA.-D-GLUCOPYRANOSIDE 6-BENZOATE
    • 99-17-2

  • Applications

    Populin (CAS 99-17-2) is used primarily in fragrance chemistry as an odorant and fragrance ingredient in perfumery and personal care products, contributing to aroma profiles and sometimes serving as a specialty fragrance component; it is commonly evaluated as an intermediate in the synthesis of fragrance-related compounds and may be employed in cosmetics and household products as a scent additive; in industrial manufacturing it can function as a chemical intermediate or processing aid within formulation workflows; and in polymers/plastics applications it may participate as an intermediate in resin or additive chemistry, all subject to formulation constraints and regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.38
    methanol 36.63
    isopropanol 10.72
    water 2.94
    ethyl acetate 5.5
    n-propanol 12.42
    acetone 30.71
    n-butanol 12.63
    acetonitrile 7.46
    DMF 69.49
    toluene 3.23
    isobutanol 4.36
    1,4-dioxane 23.23
    methyl acetate 6.4
    THF 64.78
    2-butanone 11.27
    n-pentanol 3.83
    sec-butanol 7.61
    n-hexane 0.11
    ethylene glycol 38.71
    NMP 40.52
    cyclohexane 0.57
    DMSO 420.68
    n-butyl acetate 0.87
    n-octanol 4.46
    chloroform 1.68
    n-propyl acetate 1.21
    acetic acid 69.4
    dichloromethane 2.05
    cyclohexanone 16.11
    propylene glycol 29.11
    isopropyl acetate 3.52
    DMAc 112.17
    2-ethoxyethanol 37.68
    isopentanol 6.23
    n-heptane 0.38
    ethyl formate 5.16
    1,2-dichloroethane 2.91
    n-hexanol 2.88
    2-methoxyethanol 109.04
    isobutyl acetate 0.58
    tetrachloromethane 0.41
    n-pentyl acetate 2.71
    transcutol 81.16
    n-heptanol 4.93
    ethylbenzene 0.9
    MIBK 4.94
    2-propoxyethanol 19.4
    tert-butanol 9.05
    MTBE 3.21
    2-butoxyethanol 14.93
    propionic acid 13.38
    o-xylene 2.42
    formic acid 101.31
    diethyl ether 5.53
    m-xylene 1.84
    p-xylene 0.81
    chlorobenzene 1.02
    dimethyl carbonate 13.36
    n-octane 0.3
    formamide 126.39
    cyclopentanone 27.79
    2-pentanone 10.84
    anisole 3.25
    cyclopentyl methyl ether 13.03
    gamma-butyrolactone 26.46
    1-methoxy-2-propanol 59.01
    pyridine 12.26
    3-pentanone 6.86
    furfural 20.0
    n-dodecane 0.25
    diethylene glycol 38.8
    diisopropyl ether 1.09
    tert-amyl alcohol 7.33
    acetylacetone 21.12
    n-hexadecane 0.28
    acetophenone 4.49
    methyl propionate 9.45
    isopentyl acetate 1.11
    trichloroethylene 5.57
    n-nonanol 4.74
    cyclohexanol 10.53
    benzyl alcohol 6.44
    2-ethylhexanol 1.51
    isooctanol 3.47
    dipropyl ether 2.8
    1,2-dichlorobenzene 0.99
    ethyl lactate 5.66
    propylene carbonate 6.72
    n-methylformamide 35.67
    2-pentanol 6.37
    n-pentane 0.26
    1-propoxy-2-propanol 10.91
    1-methoxy-2-propyl acetate 5.96
    2-(2-methoxypropoxy) propanol 16.87
    mesitylene 1.05
    ε-caprolactone 10.88
    p-cymene 0.8
    epichlorohydrin 21.03
    1,1,1-trichloroethane 1.03
    2-aminoethanol 38.99
    morpholine-4-carbaldehyde 47.67
    sulfolane 61.19
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 12.87
    n-hexyl acetate 3.86
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 25.31
    sec-butyl acetate 0.89
    tert-butyl acetate 4.51
    decalin 0.19
    glycerin 74.53
    diglyme 43.93
    acrylic acid 22.52
    isopropyl myristate 1.98
    n-butyric acid 12.59
    acetyl acetate 5.69
    di(2-ethylhexyl) phthalate 3.1
    ethyl propionate 1.88
    nitromethane 74.74
    1,2-diethoxyethane 8.37
    benzonitrile 2.44
    trioctyl phosphate 2.48
    1-bromopropane 1.14
    gamma-valerolactone 39.67
    n-decanol 3.6
    triethyl phosphate 2.08
    4-methyl-2-pentanol 2.9
    propionitrile 3.76
    vinylene carbonate 6.58
    1,1,2-trichlorotrifluoroethane 35.35
    DMS 5.03
    cumene 0.58
    2-octanol 2.83
    2-hexanone 2.11
    octyl acetate 2.97
    limonene 1.41
    1,2-dimethoxyethane 26.75
    ethyl orthosilicate 2.0
    tributyl phosphate 2.18
    diacetone alcohol 17.69
    N,N-dimethylaniline 3.34
    acrylonitrile 7.16
    aniline 7.49
    1,3-propanediol 48.64
    bromobenzene 0.71
    dibromomethane 1.08
    1,1,2,2-tetrachloroethane 5.24
    2-methyl-cyclohexyl acetate 2.01
    tetrabutyl urea 4.35
    diisobutyl methanol 1.52
    2-phenylethanol 4.41
    styrene 0.94
    dioctyl adipate 4.12
    dimethyl sulfate 26.13
    ethyl butyrate 1.53
    methyl lactate 23.71
    butyl lactate 5.38
    diethyl carbonate 1.43
    propanediol butyl ether 18.6
    triethyl orthoformate 2.43
    p-tert-butyltoluene 0.9
    methyl 4-tert-butylbenzoate 9.82
    morpholine 32.69
    tert-butylamine 2.86
    n-dodecanol 2.64
    dimethoxymethane 52.39
    ethylene carbonate 5.27
    cyrene 19.41
    2-ethoxyethyl acetate 6.69
    2-ethylhexyl acetate 0.73
    1,2,4-trichlorobenzene 1.8
    4-methylpyridine 6.34
    dibutyl ether 2.55
    2,6-dimethyl-4-heptanol 1.52
    DEF 17.76
    dimethyl isosorbide 20.7
    tetrachloroethylene 4.09
    eugenol 10.15
    triacetin 9.13
    span 80 13.55
    1,4-butanediol 13.31
    1,1-dichloroethane 1.14
    2-methyl-1-pentanol 2.9
    methyl formate 25.06
    2-methyl-1-butanol 5.72
    n-decane 0.47
    butyronitrile 3.34
    3,7-dimethyl-1-octanol 3.03
    1-chlorooctane 1.27
    1-chlorotetradecane 0.59
    n-nonane 0.39
    undecane 0.33
    tert-butylcyclohexane 0.11
    cyclooctane 0.35
    cyclopentanol 11.94
    tetrahydropyran 12.52
    tert-amyl methyl ether 4.1
    2,5,8-trioxanonane 35.75
    1-hexene 0.39
    2-isopropoxyethanol 13.95
    2,2,2-trifluoroethanol 25.56
    methyl butyrate 2.34

    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