Dhelwangin

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    23800-56-8

    Molecular formula
    C12H16O4

    SMILES
    CC1=CC(=C(C(=O)O1)C(=O)CCC(C)C)O

  • Odor profile

    Odorless 39.15%
    Fruity 28.79%
    Animal 24.38%
    Herbal 22.46%
    Dry 22.03%
    Caramellic 21.13%
    Mint 20.74%
    Milky 20.49%
    Sour 20.41%
    Burnt 19.46%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.25 (neutral)

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Melting point expt.

    • 41 - 41.6 °C

    Flash point est.
    130.17 ˚C

  • Synonyms

    • Pogostone
    • 23800-56-8
    • DHELWANGIN
    • QG8U8GA5EP
    • 4-HYDROXY-6-METHYL-3-(4-METHYLPENTANOYL)PYRAN-2-ONE
    • 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-
    • 4-Hydroxy-6-methyl-3-(4-methylpentanoyl)-2H-pyran-2-one
    • 4-hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-2H-pyran-2-one
    • 4-hydroxy-6-methyl-3-(4-methylpentanoyl)-2-pyrone
    • DTXSID001019967
    • 6-Methyl-3-(4-methylpentanoyl)-4-oxidanyl-pyran-2-one
    • 4-Hydroxy-6-methyl-3-(4-methyl-1-oxopentyl)-2H-pyran-2-one, 9CI
    • Pogostone?
    • Pogostone (Standard)
    • UNII-QG8U8GA5EP
    • SCHEMBL131729
    • HY-N1416R
    • CHEBI:138756
    • DTXCID901477827
    • GLXC-14099
    • HY-N1416
    • MFCD09837856
    • s9094
    • AKOS026745813
    • AKOS028108224
    • CCG-266750
    • FP45128
    • AC-34255
    • DA-76970
    • MS-23260
    • 1ST163697
    • CS-0016840
    • NS00067912

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 328.78
    methanol 328.58
    isopropanol 252.74
    water 0.43
    ethyl acetate 283.22
    n-propanol 278.71
    acetone 758.66
    n-butanol 278.78
    acetonitrile 289.02
    DMF 2416.38
    toluene 116.67
    isobutanol 220.46
    1,4-dioxane 375.2
    methyl acetate 349.53
    THF 1584.55
    2-butanone 524.28
    n-pentanol 144.35
    sec-butanol 218.4
    n-hexane 6.67
    ethylene glycol 145.49
    NMP 2164.52
    cyclohexane 11.66
    DMSO 2338.67
    n-butyl acetate 164.68
    n-octanol 36.1
    chloroform 541.83
    n-propyl acetate 128.68
    acetic acid 506.5
    dichloromethane 519.7
    cyclohexanone 699.79
    propylene glycol 295.61
    isopropyl acetate 174.48
    DMAc 1560.8
    2-ethoxyethanol 270.04
    isopentanol 238.39
    n-heptane 3.05
    ethyl formate 241.98
    1,2-dichloroethane 499.08
    n-hexanol 143.59
    2-methoxyethanol 840.55
    isobutyl acetate 86.44
    tetrachloromethane 51.25
    n-pentyl acetate 75.31
    transcutol 604.27
    n-heptanol 46.75
    ethylbenzene 45.1
    MIBK 212.51
    2-propoxyethanol 390.48
    tert-butanol 333.72
    MTBE 157.77
    2-butoxyethanol 142.79
    propionic acid 332.77
    o-xylene 64.73
    formic acid 251.03
    diethyl ether 124.99
    m-xylene 83.91
    p-xylene 53.86
    chlorobenzene 205.54
    dimethyl carbonate 245.33
    n-octane 1.01
    formamide 464.99
    cyclopentanone 1206.86
    2-pentanone 410.61
    anisole 144.68
    cyclopentyl methyl ether 429.42
    gamma-butyrolactone 1254.63
    1-methoxy-2-propanol 648.67
    pyridine 501.18
    3-pentanone 242.42
    furfural 871.67
    n-dodecane 1.01
    diethylene glycol 364.97
    diisopropyl ether 33.24
    tert-amyl alcohol 256.96
    acetylacetone 503.08
    n-hexadecane 1.22
    acetophenone 172.56
    methyl propionate 364.91
    isopentyl acetate 159.61
    trichloroethylene 1108.26
    n-nonanol 33.38
    cyclohexanol 276.72
    benzyl alcohol 171.58
    2-ethylhexanol 68.51
    isooctanol 38.2
    dipropyl ether 51.56
    1,2-dichlorobenzene 190.48
    ethyl lactate 133.33
    propylene carbonate 522.38
    n-methylformamide 781.35
    2-pentanol 146.14
    n-pentane 6.73
    1-propoxy-2-propanol 234.96
    1-methoxy-2-propyl acetate 279.3
    2-(2-methoxypropoxy) propanol 206.8
    mesitylene 44.0
    ε-caprolactone 521.62
    p-cymene 28.29
    epichlorohydrin 1333.24
    1,1,1-trichloroethane 357.68
    2-aminoethanol 299.67
    morpholine-4-carbaldehyde 1058.48
    sulfolane 1837.74
    2,2,4-trimethylpentane 5.91
    2-methyltetrahydrofuran 694.38
    n-hexyl acetate 119.94
    isooctane 4.75
    2-(2-butoxyethoxy)ethanol 244.84
    sec-butyl acetate 91.24
    tert-butyl acetate 220.55
    decalin 7.8
    glycerin 417.61
    diglyme 397.03
    acrylic acid 362.97
    isopropyl myristate 40.15
    n-butyric acid 405.43
    acetyl acetate 201.14
    di(2-ethylhexyl) phthalate 69.17
    ethyl propionate 145.71
    nitromethane 907.41
    1,2-diethoxyethane 92.75
    benzonitrile 198.46
    trioctyl phosphate 46.18
    1-bromopropane 172.69
    gamma-valerolactone 1250.1
    n-decanol 24.34
    triethyl phosphate 66.23
    4-methyl-2-pentanol 93.8
    propionitrile 220.41
    vinylene carbonate 398.07
    1,1,2-trichlorotrifluoroethane 830.98
    DMS 180.0
    cumene 30.32
    2-octanol 26.11
    2-hexanone 170.09
    octyl acetate 60.29
    limonene 44.11
    1,2-dimethoxyethane 391.34
    ethyl orthosilicate 54.89
    tributyl phosphate 63.03
    diacetone alcohol 418.33
    N,N-dimethylaniline 103.65
    acrylonitrile 367.9
    aniline 266.32
    1,3-propanediol 410.64
    bromobenzene 188.58
    dibromomethane 311.28
    1,1,2,2-tetrachloroethane 836.24
    2-methyl-cyclohexyl acetate 107.76
    tetrabutyl urea 89.98
    diisobutyl methanol 38.03
    2-phenylethanol 159.37
    styrene 57.45
    dioctyl adipate 84.38
    dimethyl sulfate 545.06
    ethyl butyrate 106.36
    methyl lactate 325.01
    butyl lactate 111.16
    diethyl carbonate 81.65
    propanediol butyl ether 185.44
    triethyl orthoformate 72.53
    p-tert-butyltoluene 30.83
    methyl 4-tert-butylbenzoate 149.46
    morpholine 715.61
    tert-butylamine 130.2
    n-dodecanol 17.59
    dimethoxymethane 630.11
    ethylene carbonate 309.39
    cyrene 276.05
    2-ethoxyethyl acetate 135.99
    2-ethylhexyl acetate 107.58
    1,2,4-trichlorobenzene 276.76
    4-methylpyridine 518.45
    dibutyl ether 30.92
    2,6-dimethyl-4-heptanol 38.03
    DEF 518.38
    dimethyl isosorbide 382.31
    tetrachloroethylene 371.17
    eugenol 156.68
    triacetin 138.49
    span 80 159.42
    1,4-butanediol 119.6
    1,1-dichloroethane 365.19
    2-methyl-1-pentanol 145.85
    methyl formate 515.37
    2-methyl-1-butanol 233.1
    n-decane 1.61
    butyronitrile 233.7
    3,7-dimethyl-1-octanol 55.57
    1-chlorooctane 15.88
    1-chlorotetradecane 6.13
    n-nonane 1.43
    undecane 1.24
    tert-butylcyclohexane 6.56
    cyclooctane 3.32
    cyclopentanol 395.46
    tetrahydropyran 384.81
    tert-amyl methyl ether 135.63
    2,5,8-trioxanonane 284.36
    1-hexene 37.3
    2-isopropoxyethanol 159.7
    2,2,2-trifluoroethanol 193.41
    methyl butyrate 215.51

    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
Patchouli (China) 1 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 3.83%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 81.71%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 63.45%