3-Methylbutyl 3-hydroxy-2-methylidenebutanoate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    80758-72-1

    Molecular formula
    C10H18O3

    SMILES
    CC(C)CCOC(=O)C(=C)C(C)O

  • Odor profile

    Herbal 47.53%
    Fruity 45.74%
    Floral 37.21%
    Mint 34.26%
    Sweet 32.39%
    Woody 28.59%
    Fresh 28.16%
    Odorless 28.02%
    Chamomile 26.54%
    Green 26.48%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point est.
    90.29 ˚C

  • Synonyms

    • 3-methylbutyl 3-hydroxy-2-methylidenebutanoate
    • Isopentyl 3-hydroxy-2-methylenebutanoate
    • SCHEMBL9183810
    • DTXSID90338809
    • CHEBI:171965
    • URBTVTZTLQVLCO-UHFFFAOYSA-N
    • DTXSID001257799
    • Isopentyl 2-(1-hydroxyethyl)acrylate #
    • 80758-72-1
    • 3-Methylbutyl 3-hydroxy-2-methylenebutanoate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 900.96
    methanol 920.64
    isopropanol 833.1
    water 1.15
    ethyl acetate 482.08
    n-propanol 681.61
    acetone 756.36
    n-butanol 611.57
    acetonitrile 282.18
    DMF 835.1
    toluene 87.4
    isobutanol 537.28
    1,4-dioxane 819.1
    methyl acetate 443.04
    THF 1454.22
    2-butanone 576.32
    n-pentanol 423.86
    sec-butanol 786.48
    n-hexane 45.81
    ethylene glycol 139.55
    NMP 893.93
    cyclohexane 55.66
    DMSO 794.11
    n-butyl acetate 433.03
    n-octanol 200.0
    chloroform 686.2
    n-propyl acetate 283.19
    acetic acid 1032.03
    dichloromethane 465.69
    cyclohexanone 892.71
    propylene glycol 368.74
    isopropyl acetate 330.35
    DMAc 737.8
    2-ethoxyethanol 477.27
    isopentanol 565.21
    n-heptane 18.44
    ethyl formate 282.04
    1,2-dichloroethane 381.13
    n-hexanol 536.77
    2-methoxyethanol 910.22
    isobutyl acetate 206.78
    tetrachloromethane 84.66
    n-pentyl acetate 205.09
    transcutol 1477.13
    n-heptanol 205.95
    ethylbenzene 87.75
    MIBK 319.67
    2-propoxyethanol 659.74
    tert-butanol 1169.91
    MTBE 595.02
    2-butoxyethanol 326.38
    propionic acid 580.08
    o-xylene 104.52
    formic acid 257.64
    diethyl ether 317.36
    m-xylene 109.66
    p-xylene 130.96
    chlorobenzene 196.75
    dimethyl carbonate 117.3
    n-octane 10.47
    formamide 280.85
    cyclopentanone 957.7
    2-pentanone 453.52
    anisole 215.42
    cyclopentyl methyl ether 515.69
    gamma-butyrolactone 1052.22
    1-methoxy-2-propanol 741.6
    pyridine 365.61
    3-pentanone 283.05
    furfural 602.17
    n-dodecane 10.32
    diethylene glycol 460.95
    diisopropyl ether 127.56
    tert-amyl alcohol 1001.67
    acetylacetone 485.82
    n-hexadecane 11.65
    acetophenone 234.82
    methyl propionate 340.32
    isopentyl acetate 424.9
    trichloroethylene 838.0
    n-nonanol 174.24
    cyclohexanol 611.48
    benzyl alcohol 216.42
    2-ethylhexanol 268.56
    isooctanol 178.95
    dipropyl ether 149.12
    1,2-dichlorobenzene 206.78
    ethyl lactate 161.94
    propylene carbonate 543.76
    n-methylformamide 346.49
    2-pentanol 519.08
    n-pentane 30.8
    1-propoxy-2-propanol 504.24
    1-methoxy-2-propyl acetate 412.28
    2-(2-methoxypropoxy) propanol 340.89
    mesitylene 87.79
    ε-caprolactone 762.56
    p-cymene 74.96
    epichlorohydrin 886.26
    1,1,1-trichloroethane 421.11
    2-aminoethanol 339.92
    morpholine-4-carbaldehyde 762.81
    sulfolane 1050.51
    2,2,4-trimethylpentane 35.84
    2-methyltetrahydrofuran 1044.29
    n-hexyl acetate 350.41
    isooctane 28.29
    2-(2-butoxyethoxy)ethanol 483.07
    sec-butyl acetate 221.83
    tert-butyl acetate 416.99
    decalin 39.24
    glycerin 384.47
    diglyme 684.27
    acrylic acid 400.09
    isopropyl myristate 127.07
    n-butyric acid 814.3
    acetyl acetate 301.48
    di(2-ethylhexyl) phthalate 137.05
    ethyl propionate 230.64
    nitromethane 892.19
    1,2-diethoxyethane 334.6
    benzonitrile 218.66
    trioctyl phosphate 104.78
    1-bromopropane 213.1
    gamma-valerolactone 1089.98
    n-decanol 128.73
    triethyl phosphate 112.68
    4-methyl-2-pentanol 290.27
    propionitrile 240.04
    vinylene carbonate 397.47
    1,1,2-trichlorotrifluoroethane 659.48
    DMS 223.17
    cumene 81.3
    2-octanol 158.15
    2-hexanone 341.64
    octyl acetate 170.3
    limonene 129.32
    1,2-dimethoxyethane 706.65
    ethyl orthosilicate 115.65
    tributyl phosphate 133.65
    diacetone alcohol 596.97
    N,N-dimethylaniline 159.58
    acrylonitrile 255.39
    aniline 219.1
    1,3-propanediol 582.14
    bromobenzene 166.09
    dibromomethane 321.07
    1,1,2,2-tetrachloroethane 829.32
    2-methyl-cyclohexyl acetate 245.57
    tetrabutyl urea 159.09
    diisobutyl methanol 152.9
    2-phenylethanol 270.62
    styrene 92.04
    dioctyl adipate 184.13
    dimethyl sulfate 212.2
    ethyl butyrate 233.6
    methyl lactate 228.53
    butyl lactate 217.89
    diethyl carbonate 147.79
    propanediol butyl ether 401.6
    triethyl orthoformate 162.03
    p-tert-butyltoluene 76.22
    methyl 4-tert-butylbenzoate 248.6
    morpholine 1110.36
    tert-butylamine 563.82
    n-dodecanol 94.29
    dimethoxymethane 367.98
    ethylene carbonate 361.69
    cyrene 319.48
    2-ethoxyethyl acetate 271.28
    2-ethylhexyl acetate 300.53
    1,2,4-trichlorobenzene 274.3
    4-methylpyridine 396.22
    dibutyl ether 157.84
    2,6-dimethyl-4-heptanol 152.9
    DEF 444.96
    dimethyl isosorbide 525.49
    tetrachloroethylene 468.15
    eugenol 248.68
    triacetin 277.42
    span 80 343.83
    1,4-butanediol 203.02
    1,1-dichloroethane 443.21
    2-methyl-1-pentanol 431.39
    methyl formate 272.29
    2-methyl-1-butanol 528.82
    n-decane 16.29
    butyronitrile 291.13
    3,7-dimethyl-1-octanol 220.02
    1-chlorooctane 91.44
    1-chlorotetradecane 37.21
    n-nonane 14.84
    undecane 12.73
    tert-butylcyclohexane 41.53
    cyclooctane 17.95
    cyclopentanol 700.17
    tetrahydropyran 812.16
    tert-amyl methyl ether 407.86
    2,5,8-trioxanonane 464.78
    1-hexene 151.04
    2-isopropoxyethanol 354.58
    2,2,2-trifluoroethanol 252.31
    methyl butyrate 347.93

    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) 0.27%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.48%