Ethyl 3,3-dimethylacrylate

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  • Identifiers

    CAS number
    638-10-8

    Molecular formula
    C7H12O2

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 85.68%
    Sweet 70.03%
    Green 62.19%
    Apple 60.96%
    Herbal 51.95%
    Chamomile 51.72%
    Ethereal 47.68%
    Rummy 42.9%
    Caramellic 41.31%
    Pineapple 38.42%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.02 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    151°C

    Flash point est.
    44.57 ˚C

  • Synonyms

    • Ethyl 3,3-dimethylacrylate
    • 638-10-8
    • Ethyl 3-methylbut-2-enoate
    • Ethyl 3-methylcrotonate
    • Ethyl 3-methyl-2-butenoate
    • Ethyl senecioate
    • Ethyl isobutenoate
    • 2-Butenoic acid, 3-methyl-, ethyl ester
    • 3,3-Dimethylacrylic acid ethyl ester
    • Ethyl isopropylideneacetate
    • 3-Methyl-2-butenoic Acid Ethyl Ester
    • Ethyl dimethylacrylate
    • CROTONIC ACID, 3-METHYL-, ETHYL ESTER
    • EINECS 211-319-1
    • NSC 61853
    • NSC 99208
    • BRN 1744854
    • UNII-2Z69LO3855
    • AI3-32913
    • NSC-61853
    • NSC-99208
    • Ethyl .beta.,.beta.-dimethylacrylate
    • 2Z69LO3855
    • DTXSID0060931
    • UTXVCHVLDOLVPC-UHFFFAOYSA-
    • SENECIOIC ACID, ETHYL ESTER
    • 4-02-00-01556 (Beilstein Handbook Reference)
    • 3-Methyl-2-butenoic acid, ethyl ester
    • 3-methyl-but-2-enoic acid ethyl ester
    • Ethyl-Beta,Beta-Dimethyl Acrylate
    • Ethyl beta-methylcrotonate
    • Ethyl isopropylidene acetate
    • Ethyl beta,beta-dimethylacrylate
    • 4-Bromophenylhydrazine Monohydrochloride; p-Bromophenylhydrazine Monohydrochloride; (4-Bromophenyl)hydrazine Monohydrochloride; (p-Bromophenyl)hydrazine Monohydrochloride
    • MFCD00009187
    • Ethyl 3methylcrotonate
    • Ethyl 3methyl2butenoate
    • Ethyl betamethylcrotonate
    • Ethyl3-methylbut-2-enoate
    • NCIOpen2_002201
    • Ethyl .beta.-methylcrotonate
    • SCHEMBL101514
    • Ethyl beta,betadimethylacrylate
    • dimethylacrylic acid ethyl ester
    • DTXCID5044104
    • 3-Methylcrotonic Acid Ethyl Ester
    • Ethyl 3,3-dimethylacrylate, 98%
    • NSC61853
    • NSC99208
    • 3,3Dimethylacrylic acid ethyl ester
    • Crotonic acid, 3methyl, ethyl ester
    • 2Butenoic acid, 3methyl, ethyl ester
    • AKOS015841067
    • FE32959
    • AS-18468
    • HY-41314
    • CS-0015966
    • M1441
    • NS00022606
    • EN300-85518
    • O11780
    • Q27255837
    • F8884-7003
    • 211-319-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 520.09
    methanol 624.56
    isopropanol 517.25
    water 5.32
    ethyl acetate 252.97
    n-propanol 443.28
    acetone 492.45
    n-butanol 407.24
    acetonitrile 429.31
    DMF 692.51
    toluene 146.29
    isobutanol 347.34
    1,4-dioxane 597.55
    methyl acetate 278.58
    THF 871.34
    2-butanone 302.04
    n-pentanol 259.08
    sec-butanol 442.89
    n-hexane 141.34
    ethylene glycol 159.39
    NMP 702.16
    cyclohexane 210.92
    DMSO 449.49
    n-butyl acetate 229.94
    n-octanol 287.57
    chloroform 1226.66
    n-propyl acetate 178.33
    acetic acid 839.02
    dichloromethane 810.3
    cyclohexanone 565.11
    propylene glycol 281.8
    isopropyl acetate 154.24
    DMAc 462.01
    2-ethoxyethanol 225.69
    isopentanol 291.61
    n-heptane 96.02
    ethyl formate 240.02
    1,2-dichloroethane 366.88
    n-hexanol 384.89
    2-methoxyethanol 478.88
    isobutyl acetate 121.53
    tetrachloromethane 169.08
    n-pentyl acetate 164.26
    transcutol 558.83
    n-heptanol 181.96
    ethylbenzene 130.14
    MIBK 160.8
    2-propoxyethanol 381.25
    tert-butanol 612.35
    MTBE 268.1
    2-butoxyethanol 194.66
    propionic acid 405.35
    o-xylene 134.94
    formic acid 187.61
    diethyl ether 237.72
    m-xylene 123.85
    p-xylene 186.44
    chlorobenzene 271.79
    dimethyl carbonate 132.27
    n-octane 44.57
    formamide 179.71
    cyclopentanone 629.28
    2-pentanone 254.64
    anisole 223.84
    cyclopentyl methyl ether 351.67
    gamma-butyrolactone 676.47
    1-methoxy-2-propanol 398.74
    pyridine 419.76
    3-pentanone 186.78
    furfural 515.6
    n-dodecane 48.43
    diethylene glycol 287.78
    diisopropyl ether 89.94
    tert-amyl alcohol 445.06
    acetylacetone 282.78
    n-hexadecane 52.19
    acetophenone 215.35
    methyl propionate 230.71
    isopentyl acetate 213.76
    trichloroethylene 813.5
    n-nonanol 230.08
    cyclohexanol 465.24
    benzyl alcohol 201.19
    2-ethylhexanol 229.48
    isooctanol 147.1
    dipropyl ether 189.5
    1,2-dichlorobenzene 266.7
    ethyl lactate 161.36
    propylene carbonate 431.97
    n-methylformamide 313.57
    2-pentanol 294.53
    n-pentane 119.3
    1-propoxy-2-propanol 309.09
    1-methoxy-2-propyl acetate 211.17
    2-(2-methoxypropoxy) propanol 276.51
    mesitylene 99.52
    ε-caprolactone 438.4
    p-cymene 113.72
    epichlorohydrin 527.58
    1,1,1-trichloroethane 502.99
    2-aminoethanol 278.29
    morpholine-4-carbaldehyde 520.19
    sulfolane 752.36
    2,2,4-trimethylpentane 60.3
    2-methyltetrahydrofuran 553.16
    n-hexyl acetate 330.94
    isooctane 43.22
    2-(2-butoxyethoxy)ethanol 340.36
    sec-butyl acetate 115.53
    tert-butyl acetate 188.61
    decalin 87.31
    glycerin 302.75
    diglyme 423.84
    acrylic acid 375.83
    isopropyl myristate 151.69
    n-butyric acid 495.68
    acetyl acetate 204.21
    di(2-ethylhexyl) phthalate 157.14
    ethyl propionate 174.77
    nitromethane 680.0
    1,2-diethoxyethane 185.2
    benzonitrile 290.33
    trioctyl phosphate 127.07
    1-bromopropane 299.22
    gamma-valerolactone 630.87
    n-decanol 181.62
    triethyl phosphate 126.9
    4-methyl-2-pentanol 152.94
    propionitrile 325.39
    vinylene carbonate 400.91
    1,1,2-trichlorotrifluoroethane 504.27
    DMS 221.02
    cumene 108.29
    2-octanol 175.68
    2-hexanone 198.4
    octyl acetate 208.51
    limonene 175.23
    1,2-dimethoxyethane 403.19
    ethyl orthosilicate 118.23
    tributyl phosphate 147.84
    diacetone alcohol 277.55
    N,N-dimethylaniline 184.65
    acrylonitrile 380.42
    aniline 219.78
    1,3-propanediol 340.38
    bromobenzene 270.15
    dibromomethane 617.6
    1,1,2,2-tetrachloroethane 732.99
    2-methyl-cyclohexyl acetate 207.53
    tetrabutyl urea 191.91
    diisobutyl methanol 137.87
    2-phenylethanol 229.99
    styrene 154.72
    dioctyl adipate 222.48
    dimethyl sulfate 213.83
    ethyl butyrate 195.13
    methyl lactate 206.2
    butyl lactate 189.89
    diethyl carbonate 165.02
    propanediol butyl ether 302.95
    triethyl orthoformate 149.82
    p-tert-butyltoluene 121.64
    methyl 4-tert-butylbenzoate 258.49
    morpholine 609.4
    tert-butylamine 408.04
    n-dodecanol 147.12
    dimethoxymethane 312.61
    ethylene carbonate 304.03
    cyrene 261.92
    2-ethoxyethyl acetate 171.53
    2-ethylhexyl acetate 170.54
    1,2,4-trichlorobenzene 310.2
    4-methylpyridine 374.64
    dibutyl ether 207.05
    2,6-dimethyl-4-heptanol 137.87
    DEF 281.85
    dimethyl isosorbide 400.57
    tetrachloroethylene 412.81
    eugenol 245.9
    triacetin 297.01
    span 80 336.25
    1,4-butanediol 151.4
    1,1-dichloroethane 490.48
    2-methyl-1-pentanol 230.7
    methyl formate 273.39
    2-methyl-1-butanol 301.54
    n-decane 70.05
    butyronitrile 368.78
    3,7-dimethyl-1-octanol 222.63
    1-chlorooctane 176.39
    1-chlorotetradecane 90.06
    n-nonane 72.23
    undecane 56.66
    tert-butylcyclohexane 82.08
    cyclooctane 62.86
    cyclopentanol 529.02
    tetrahydropyran 591.99
    tert-amyl methyl ether 215.34
    2,5,8-trioxanonane 392.56
    1-hexene 246.72
    2-isopropoxyethanol 163.36
    2,2,2-trifluoroethanol 203.25
    methyl butyrate 249.1

    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
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 1.66%