Allyl amyl glycolate

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  • Identifiers

    CAS number
    67634-00-8

    Molecular formula
    C10H18O3

    SMILES
    CC(C)CCOCC(=O)OCC=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 93.33%
    Green 72.04%
    Herbal 57.63%
    Apple 54.37%
    Pineapple 45.16%
    Winey 40.3%
    Sweet 39.5%
    Ethereal 38.15%
    Tropical 35.44%
    Fresh 34.3%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point est.
    88.58 ˚C

    Flash point expt.

    • 154 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)

  • Synonyms

    • Allyl (3-methylbutoxy)acetate
    • 67634-00-8
    • Allyl 2-(isopentyloxy)acetate
    • Glycolic acid 2-pentyloxy allyl ester
    • prop-2-enyl 2-(3-methylbutoxy)acetate
    • Isoamyloxyacetic acid, allyl ester
    • Acetic acid, (3-methylbutoxy)-, 2-propenyl ester
    • EINECS 266-803-5
    • (3-Methylbutoxy)acetic acid, 2-propenyl ester
    • EMX89K493E
    • isoamyl allylglycolate
    • DTXSID9025580
    • Acetic acid, 2-(3-methylbutoxy)-, 2-propen-1-yl ester
    • Glycolic acid 2-pentyloxy allyl ester (natural)
    • DTXCID905580
    • MFCD03424212
    • UNII-EMX89K493E
    • Allyl (isopentyloxy)acetate #
    • SCHEMBL273059
    • CHEMBL1581032
    • BCP29790
    • Tox21_200351
    • AKOS015901765
    • (3-Methylbutoxy)acetic Acid Allyl Ester
    • NCGC00091840-01
    • NCGC00091840-02
    • NCGC00257905-01
    • Allyl isoamyl glycolate;Allyl amyl glycolate
    • CAS-67634-00-8
    • A3185
    • NS00011943
    • 3-Methylbutoxy-acetic acid, 2-propenyl ester
    • D88550
    • METHYLBUTOXY)ACETIC ACID, (3-2-PROPENYL ESTER
    • METHYLBUTOXY)ACETIC ACID, (3- 2-PROPENYL ESTER

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 544.16
    methanol 665.56
    isopropanol 344.48
    water 0.56
    ethyl acetate 502.87
    n-propanol 404.92
    acetone 913.06
    n-butanol 372.9
    acetonitrile 374.42
    DMF 976.04
    toluene 160.41
    isobutanol 311.89
    1,4-dioxane 420.74
    methyl acetate 511.68
    THF 839.88
    2-butanone 685.28
    n-pentanol 253.11
    sec-butanol 368.26
    n-hexane 42.86
    ethylene glycol 140.12
    NMP 1046.68
    cyclohexane 67.92
    DMSO 1731.54
    n-butyl acetate 472.75
    n-octanol 130.6
    chloroform 1500.39
    n-propyl acetate 332.17
    acetic acid 913.68
    dichloromethane 1296.2
    cyclohexanone 1012.31
    propylene glycol 244.86
    isopropyl acetate 282.7
    DMAc 845.67
    2-ethoxyethanol 388.56
    isopentanol 350.59
    n-heptane 22.87
    ethyl formate 337.16
    1,2-dichloroethane 983.6
    n-hexanol 301.91
    2-methoxyethanol 729.35
    isobutyl acetate 197.68
    tetrachloromethane 173.38
    n-pentyl acetate 221.7
    transcutol 1720.18
    n-heptanol 117.47
    ethylbenzene 122.9
    MIBK 285.99
    2-propoxyethanol 507.13
    tert-butanol 486.94
    MTBE 338.23
    2-butoxyethanol 251.2
    propionic acid 543.48
    o-xylene 170.16
    formic acid 301.07
    diethyl ether 251.83
    m-xylene 154.96
    p-xylene 176.08
    chlorobenzene 404.48
    dimethyl carbonate 173.02
    n-octane 9.29
    formamide 398.32
    cyclopentanone 1134.01
    2-pentanone 485.17
    anisole 280.41
    cyclopentyl methyl ether 406.23
    gamma-butyrolactone 1136.23
    1-methoxy-2-propanol 536.57
    pyridine 570.73
    3-pentanone 380.19
    furfural 1026.62
    n-dodecane 8.22
    diethylene glycol 410.18
    diisopropyl ether 85.93
    tert-amyl alcohol 498.82
    acetylacetone 609.09
    n-hexadecane 9.67
    acetophenone 368.19
    methyl propionate 400.98
    isopentyl acetate 428.81
    trichloroethylene 2168.95
    n-nonanol 113.33
    cyclohexanol 416.87
    benzyl alcohol 282.4
    2-ethylhexanol 201.66
    isooctanol 106.55
    dipropyl ether 146.63
    1,2-dichlorobenzene 464.07
    ethyl lactate 203.26
    propylene carbonate 631.4
    n-methylformamide 497.32
    2-pentanol 261.53
    n-pentane 30.58
    1-propoxy-2-propanol 399.43
    1-methoxy-2-propyl acetate 445.44
    2-(2-methoxypropoxy) propanol 375.85
    mesitylene 107.01
    ε-caprolactone 732.62
    p-cymene 110.44
    epichlorohydrin 1193.96
    1,1,1-trichloroethane 865.98
    2-aminoethanol 278.22
    morpholine-4-carbaldehyde 704.27
    sulfolane 1690.86
    2,2,4-trimethylpentane 30.13
    2-methyltetrahydrofuran 646.0
    n-hexyl acetate 341.8
    isooctane 20.02
    2-(2-butoxyethoxy)ethanol 485.76
    sec-butyl acetate 222.28
    tert-butyl acetate 363.24
    decalin 44.22
    glycerin 306.0
    diglyme 770.84
    acrylic acid 523.35
    isopropyl myristate 118.66
    n-butyric acid 720.2
    acetyl acetate 370.22
    di(2-ethylhexyl) phthalate 146.71
    ethyl propionate 279.14
    nitromethane 1328.3
    1,2-diethoxyethane 336.81
    benzonitrile 366.4
    trioctyl phosphate 99.46
    1-bromopropane 403.03
    gamma-valerolactone 1075.76
    n-decanol 82.94
    triethyl phosphate 154.29
    4-methyl-2-pentanol 151.18
    propionitrile 305.34
    vinylene carbonate 535.61
    1,1,2-trichlorotrifluoroethane 1135.12
    DMS 342.44
    cumene 103.18
    2-octanol 86.91
    2-hexanone 351.19
    octyl acetate 157.1
    limonene 171.19
    1,2-dimethoxyethane 529.4
    ethyl orthosilicate 138.0
    tributyl phosphate 146.73
    diacetone alcohol 517.01
    N,N-dimethylaniline 209.6
    acrylonitrile 467.69
    aniline 291.6
    1,3-propanediol 382.3
    bromobenzene 406.99
    dibromomethane 888.28
    1,1,2,2-tetrachloroethane 1840.01
    2-methyl-cyclohexyl acetate 272.97
    tetrabutyl urea 181.67
    diisobutyl methanol 120.85
    2-phenylethanol 300.89
    styrene 152.75
    dioctyl adipate 217.79
    dimethyl sulfate 397.76
    ethyl butyrate 295.82
    methyl lactate 286.97
    butyl lactate 260.97
    diethyl carbonate 205.45
    propanediol butyl ether 362.25
    triethyl orthoformate 187.42
    p-tert-butyltoluene 103.63
    methyl 4-tert-butylbenzoate 291.8
    morpholine 599.07
    tert-butylamine 276.68
    n-dodecanol 62.06
    dimethoxymethane 352.65
    ethylene carbonate 396.54
    cyrene 345.51
    2-ethoxyethyl acetate 315.13
    2-ethylhexyl acetate 309.64
    1,2,4-trichlorobenzene 579.78
    4-methylpyridine 532.11
    dibutyl ether 144.56
    2,6-dimethyl-4-heptanol 120.85
    DEF 510.32
    dimethyl isosorbide 570.87
    tetrachloroethylene 1027.12
    eugenol 294.49
    triacetin 377.2
    span 80 326.94
    1,4-butanediol 168.01
    1,1-dichloroethane 852.93
    2-methyl-1-pentanol 268.58
    methyl formate 402.83
    2-methyl-1-butanol 341.49
    n-decane 13.68
    butyronitrile 309.86
    3,7-dimethyl-1-octanol 187.01
    1-chlorooctane 92.15
    1-chlorotetradecane 34.66
    n-nonane 13.19
    undecane 10.19
    tert-butylcyclohexane 38.5
    cyclooctane 22.23
    cyclopentanol 446.64
    tetrahydropyran 494.96
    tert-amyl methyl ether 277.27
    2,5,8-trioxanonane 537.78
    1-hexene 146.15
    2-isopropoxyethanol 277.2
    2,2,2-trifluoroethanol 295.71
    methyl butyrate 422.6

    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