3,5-Heptanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (S-(R*,R*))-

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  • Identifiers

    CAS number
    145888-84-2

    Molecular formula
    C22H30O7

    SMILES
    COC1=CC(=CC(=C1O)OC)CC[C@@H](C[C@H](CCC2=CC(=C(C=C2)O)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 54.26%
    Sweet 45.89%
    Odorless 40.07%
    Spicy 38.5%
    Balsamic 38.25%
    Creamy 31.46%
    Powdery 28.59%
    Milky 27.4%
    Floral 25.47%
    Fruity 24.83%

     

    Flavor
    Bitter 40.77%
    Mild 34.34%
    Odorless 33.79%
    Woody 30.97%
    Bland 29.47%
    Sweet 27.45%
    Spicy 25.41%
    Sweet-like 22.95%
    Eugenol 21.82%
    Smoky 21.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    10.48 (weak base)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    956°C

    Flash point

    • 223.76 ˚C est.

  • Synonyms

    • 3,5-Dihydroxy-meodah
    • 145888-84-2
    • (3S,5S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
    • K9C656D9DL
    • 3,5-Dihydroxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-7-(4''-hydroxy-3''-methoxyphenyl)heptane
    • 3,5-Heptanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (S-(R*,R*))-
    • 3,5-Heptanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, [S-(R*,R*)]-
    • RefChem:910727
    • CHEMBL518528
    • DTXSID60932712
    • 3,5-dihydroxy-1-(4/'-hydroxy-3/',5/'-dimethoxyphenyl)-7-(4/'/'-hydroxy-3/'/'-methoxyphenyl)heptane
    • 145888-84-2

  • Applications

    Chemical name: 3,5-Heptanediol, 1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-, (S-(R*,R*))-, CAS number: 145888-84-2 is typically used as a chiral building block in pharmaceutical synthesis, serving as a diol-based intermediate for enantiomerically enriched compounds. It also functions as a diol monomer for polyesters and polyurethanes, enabling the synthesis of specialty polymers with defined stereochemistry. In coatings and inks, the compound can act as a crosslinking agent or reactive diluent contributing to film formation and hardness. In perfumery and fragrance applications, it may be used as a fragrance intermediate or precursor for aroma compounds. It is also of interest as a scaffold in emerging optoelectronic/chiral materials research, where such diol-bridged diaryl structures are evaluated for potential use in OLED or liquid-crystal formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 30.51
    methanol 38.38
    isopropanol 14.89
    water 0.1
    ethyl acetate 9.27
    n-propanol 23.53
    acetone 70.84
    n-butanol 11.47
    acetonitrile 8.67
    DMF 83.61
    toluene 2.38
    isobutanol 9.1
    1,4-dioxane 53.41
    methyl acetate 13.94
    THF 311.14
    2-butanone 29.4
    n-pentanol 10.35
    sec-butanol 11.96
    n-hexane 0.25
    ethylene glycol 15.16
    NMP 46.63
    cyclohexane 0.76
    DMSO 1261.11
    n-butyl acetate 3.5
    n-octanol 6.82
    chloroform 14.44
    n-propyl acetate 5.72
    acetic acid 53.08
    dichloromethane 16.1
    cyclohexanone 42.09
    propylene glycol 19.22
    isopropyl acetate 5.26
    DMAc 93.24
    2-ethoxyethanol 48.83
    isopentanol 6.89
    n-heptane 0.36
    ethyl formate 13.03
    1,2-dichloroethane 15.79
    n-hexanol 6.56
    2-methoxyethanol 80.02
    isobutyl acetate 2.98
    tetrachloromethane 2.05
    n-pentyl acetate 6.5
    transcutol 47.91
    n-heptanol 6.95
    ethylbenzene 1.48
    MIBK 7.07
    2-propoxyethanol 28.31
    tert-butanol 15.0
    MTBE 5.99
    2-butoxyethanol 20.67
    propionic acid 18.09
    o-xylene 1.85
    formic acid 34.22
    diethyl ether 6.85
    m-xylene 1.3
    p-xylene 1.8
    chlorobenzene 3.4
    dimethyl carbonate 10.86
    n-octane 0.38
    formamide 57.63
    cyclopentanone 101.55
    2-pentanone 16.67
    anisole 5.64
    cyclopentyl methyl ether 15.15
    gamma-butyrolactone 74.45
    1-methoxy-2-propanol 39.13
    pyridine 21.6
    3-pentanone 11.01
    furfural 36.98
    n-dodecane 0.37
    diethylene glycol 32.42
    diisopropyl ether 1.22
    tert-amyl alcohol 11.74
    acetylacetone 29.18
    n-hexadecane 0.41
    acetophenone 8.76
    methyl propionate 12.99
    isopentyl acetate 3.75
    trichloroethylene 24.23
    n-nonanol 7.11
    cyclohexanol 11.06
    benzyl alcohol 9.6
    2-ethylhexanol 3.24
    isooctanol 5.25
    dipropyl ether 3.84
    1,2-dichlorobenzene 3.34
    ethyl lactate 8.27
    propylene carbonate 15.48
    n-methylformamide 38.95
    2-pentanol 4.67
    n-pentane 0.25
    1-propoxy-2-propanol 14.05
    1-methoxy-2-propyl acetate 9.54
    2-(2-methoxypropoxy) propanol 16.99
    mesitylene 0.79
    ε-caprolactone 24.85
    p-cymene 1.23
    epichlorohydrin 72.83
    1,1,1-trichloroethane 6.1
    2-aminoethanol 25.05
    morpholine-4-carbaldehyde 46.62
    sulfolane 151.54
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 34.49
    n-hexyl acetate 8.1
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 25.05
    sec-butyl acetate 2.95
    tert-butyl acetate 7.39
    decalin 0.38
    glycerin 32.99
    diglyme 44.96
    acrylic acid 20.4
    isopropyl myristate 3.43
    n-butyric acid 15.16
    acetyl acetate 7.64
    di(2-ethylhexyl) phthalate 5.13
    ethyl propionate 5.04
    nitromethane 90.34
    1,2-diethoxyethane 11.22
    benzonitrile 5.88
    trioctyl phosphate 4.39
    1-bromopropane 4.62
    gamma-valerolactone 91.67
    n-decanol 5.19
    triethyl phosphate 4.03
    4-methyl-2-pentanol 2.7
    propionitrile 7.46
    vinylene carbonate 13.85
    1,1,2-trichlorotrifluoroethane 57.68
    DMS 8.4
    cumene 1.11
    2-octanol 4.43
    2-hexanone 9.38
    octyl acetate 5.23
    limonene 2.01
    1,2-dimethoxyethane 52.53
    ethyl orthosilicate 3.58
    tributyl phosphate 4.4
    diacetone alcohol 18.96
    N,N-dimethylaniline 4.05
    acrylonitrile 11.43
    aniline 6.67
    1,3-propanediol 33.41
    bromobenzene 2.49
    dibromomethane 8.82
    1,1,2,2-tetrachloroethane 22.83
    2-methyl-cyclohexyl acetate 5.26
    tetrabutyl urea 7.12
    diisobutyl methanol 2.0
    2-phenylethanol 7.75
    styrene 1.67
    dioctyl adipate 7.27
    dimethyl sulfate 28.27
    ethyl butyrate 3.65
    methyl lactate 16.72
    butyl lactate 8.67
    diethyl carbonate 3.05
    propanediol butyl ether 18.62
    triethyl orthoformate 4.31
    p-tert-butyltoluene 1.19
    methyl 4-tert-butylbenzoate 12.33
    morpholine 64.78
    tert-butylamine 4.06
    n-dodecanol 3.7
    dimethoxymethane 54.41
    ethylene carbonate 12.1
    cyrene 23.41
    2-ethoxyethyl acetate 12.58
    2-ethylhexyl acetate 2.68
    1,2,4-trichlorobenzene 4.92
    4-methylpyridine 10.24
    dibutyl ether 4.48
    2,6-dimethyl-4-heptanol 2.0
    DEF 16.6
    dimethyl isosorbide 24.96
    tetrachloroethylene 14.78
    eugenol 12.05
    triacetin 12.07
    span 80 14.06
    1,4-butanediol 15.2
    1,1-dichloroethane 6.97
    2-methyl-1-pentanol 6.54
    methyl formate 34.85
    2-methyl-1-butanol 7.27
    n-decane 0.68
    butyronitrile 6.04
    3,7-dimethyl-1-octanol 4.37
    1-chlorooctane 2.76
    1-chlorotetradecane 1.17
    n-nonane 0.55
    undecane 0.48
    tert-butylcyclohexane 0.26
    cyclooctane 0.29
    cyclopentanol 22.19
    tetrahydropyran 31.48
    tert-amyl methyl ether 5.03
    2,5,8-trioxanonane 33.24
    1-hexene 1.09
    2-isopropoxyethanol 21.59
    2,2,2-trifluoroethanol 20.77
    methyl butyrate 7.92

    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