2-hydroxy-2-methyl-3-butenyl Angelate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    80758-67-4

    Molecular formula
    C10H16O3

    SMILES
    C/C=C(/C)\C(=O)OCC(C)(C=C)O

  • Odor profile

    Sweet 53.27%
    Floral 45.29%
    Fruity 39.38%
    Herbal 38.26%
    Green 34.9%
    Woody 32.41%
    Earthy 32.35%
    Mint 31.93%
    Caramellic 31.41%
    Fresh 29.57%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    184.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    235°C

    Flash point est.
    101.27 ˚C

  • Synonyms

    • QQSQGJPTALGCLH-YVMONPNESA-N
    • 2-hydroxy-2-methyl-3-butenyl Angelate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 898.36
    methanol 1061.71
    isopropanol 593.68
    water 3.2
    ethyl acetate 469.96
    n-propanol 540.43
    acetone 343.91
    n-butanol 526.83
    acetonitrile 284.71
    DMF 430.63
    toluene 172.38
    isobutanol 370.11
    1,4-dioxane 912.1
    methyl acetate 439.05
    THF 813.4
    2-butanone 418.07
    n-pentanol 390.46
    sec-butanol 644.92
    n-hexane 26.17
    ethylene glycol 88.22
    NMP 299.7
    cyclohexane 42.48
    DMSO 302.53
    n-butyl acetate 259.24
    n-octanol 165.97
    chloroform 467.74
    n-propyl acetate 253.38
    acetic acid 490.16
    dichloromethane 358.95
    cyclohexanone 387.85
    propylene glycol 147.42
    isopropyl acetate 258.74
    DMAc 597.11
    2-ethoxyethanol 576.87
    isopentanol 477.91
    n-heptane 14.24
    ethyl formate 256.22
    1,2-dichloroethane 235.7
    n-hexanol 349.55
    2-methoxyethanol 828.54
    isobutyl acetate 158.51
    tetrachloromethane 61.19
    n-pentyl acetate 142.25
    transcutol 1215.11
    n-heptanol 165.12
    ethylbenzene 140.06
    MIBK 215.91
    2-propoxyethanol 459.22
    tert-butanol 881.94
    MTBE 672.08
    2-butoxyethanol 261.72
    propionic acid 278.71
    o-xylene 136.23
    formic acid 250.66
    diethyl ether 454.39
    m-xylene 122.42
    p-xylene 185.21
    chlorobenzene 155.02
    dimethyl carbonate 100.04
    n-octane 9.35
    formamide 362.83
    cyclopentanone 317.11
    2-pentanone 327.75
    anisole 306.02
    cyclopentyl methyl ether 307.67
    gamma-butyrolactone 350.33
    1-methoxy-2-propanol 513.44
    pyridine 377.55
    3-pentanone 208.91
    furfural 359.68
    n-dodecane 9.71
    diethylene glycol 309.12
    diisopropyl ether 117.28
    tert-amyl alcohol 903.58
    acetylacetone 296.53
    n-hexadecane 10.66
    acetophenone 251.07
    methyl propionate 262.1
    isopentyl acetate 258.0
    trichloroethylene 454.16
    n-nonanol 143.75
    cyclohexanol 355.18
    benzyl alcohol 269.37
    2-ethylhexanol 191.5
    isooctanol 132.57
    dipropyl ether 121.98
    1,2-dichlorobenzene 147.09
    ethyl lactate 114.43
    propylene carbonate 232.68
    n-methylformamide 276.07
    2-pentanol 414.55
    n-pentane 27.66
    1-propoxy-2-propanol 263.88
    1-methoxy-2-propyl acetate 230.3
    2-(2-methoxypropoxy) propanol 278.4
    mesitylene 76.18
    ε-caprolactone 385.59
    p-cymene 68.59
    epichlorohydrin 481.11
    1,1,1-trichloroethane 234.12
    2-aminoethanol 256.57
    morpholine-4-carbaldehyde 543.17
    sulfolane 280.66
    2,2,4-trimethylpentane 30.83
    2-methyltetrahydrofuran 678.42
    n-hexyl acetate 233.25
    isooctane 20.03
    2-(2-butoxyethoxy)ethanol 399.34
    sec-butyl acetate 202.97
    tert-butyl acetate 279.57
    decalin 33.85
    glycerin 186.66
    diglyme 689.45
    acrylic acid 204.67
    isopropyl myristate 90.65
    n-butyric acid 400.67
    acetyl acetate 225.04
    di(2-ethylhexyl) phthalate 93.17
    ethyl propionate 209.35
    nitromethane 556.5
    1,2-diethoxyethane 314.72
    benzonitrile 194.29
    trioctyl phosphate 65.04
    1-bromopropane 164.57
    gamma-valerolactone 527.67
    n-decanol 101.67
    triethyl phosphate 87.52
    4-methyl-2-pentanol 229.87
    propionitrile 236.68
    vinylene carbonate 221.26
    1,1,2-trichlorotrifluoroethane 305.2
    DMS 146.04
    cumene 99.13
    2-octanol 115.93
    2-hexanone 252.51
    octyl acetate 118.15
    limonene 102.59
    1,2-dimethoxyethane 840.66
    ethyl orthosilicate 92.33
    tributyl phosphate 81.52
    diacetone alcohol 371.51
    N,N-dimethylaniline 200.97
    acrylonitrile 235.13
    aniline 213.73
    1,3-propanediol 414.33
    bromobenzene 138.11
    dibromomethane 245.21
    1,1,2,2-tetrachloroethane 396.92
    2-methyl-cyclohexyl acetate 169.3
    tetrabutyl urea 100.96
    diisobutyl methanol 101.88
    2-phenylethanol 229.69
    styrene 152.15
    dioctyl adipate 129.16
    dimethyl sulfate 123.39
    ethyl butyrate 181.75
    methyl lactate 122.1
    butyl lactate 120.16
    diethyl carbonate 127.04
    propanediol butyl ether 241.28
    triethyl orthoformate 126.92
    p-tert-butyltoluene 67.89
    methyl 4-tert-butylbenzoate 189.65
    morpholine 1088.32
    tert-butylamine 497.2
    n-dodecanol 75.2
    dimethoxymethane 379.21
    ethylene carbonate 185.74
    cyrene 217.93
    2-ethoxyethyl acetate 218.49
    2-ethylhexyl acetate 195.42
    1,2,4-trichlorobenzene 188.4
    4-methylpyridine 425.96
    dibutyl ether 142.02
    2,6-dimethyl-4-heptanol 101.88
    DEF 373.76
    dimethyl isosorbide 362.86
    tetrachloroethylene 262.42
    eugenol 195.44
    triacetin 207.79
    span 80 217.41
    1,4-butanediol 163.26
    1,1-dichloroethane 264.7
    2-methyl-1-pentanol 416.35
    methyl formate 188.15
    2-methyl-1-butanol 460.37
    n-decane 16.0
    butyronitrile 266.21
    3,7-dimethyl-1-octanol 177.15
    1-chlorooctane 70.19
    1-chlorotetradecane 28.95
    n-nonane 13.92
    undecane 11.94
    tert-butylcyclohexane 34.85
    cyclooctane 13.81
    cyclopentanol 274.91
    tetrahydropyran 684.0
    tert-amyl methyl ether 473.28
    2,5,8-trioxanonane 455.06
    1-hexene 131.41
    2-isopropoxyethanol 384.19
    2,2,2-trifluoroethanol 134.37
    methyl butyrate 293.51

    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
Roman chamomile (Japan) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.52%
Roman chamomile (Italy) 6 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.35%