1-Hepten-2-YL acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1541-02-2

    Molecular formula
    C9H16O2

    SMILES
    CCCCCC(=C)OC(=O)C

    Retention indicies (RI)

    • Carbowax: 1424.0

  • Odor profile

    Fragrance
    Fruity 87.8%
    Green 54.24%
    Floral 48.85%
    Herbal 45.79%
    Tropical 32.35%
    Winey 32.03%
    Sweet 31.93%
    Fresh 31.74%
    Pineapple 28.59%
    Cheesy 28.08%

     

    Flavor
    Fruity 57.7%
    Woody 44.52%
    Green 37.7%
    Herbal 35.49%
    Tropical 33.8%
    Sweet 33.61%
    Floral 29.37%
    Fresh 27.01%
    Oily 26.38%
    Earthy 26.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.91 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    189°C

    Flash point

    • 64.02 ˚C est.

  • Synonyms

    • hept-1-en-2-yl acetate
    • 1-Hepten-2-yl acetate
    • VR7HE86N2R
    • 1-Hepten-2-ol, 2-acetate
    • 1541-02-2
    • UNII-VR7HE86N2R
    • SCHEMBL8467773
    • KPYPIXZXTLCRNN-UHFFFAOYSA-N

  • Applications

    1-Hepten-2-YL acetate (CAS 1541-02-2) is an unsaturated aliphatic acetate used primarily as a fragrance ingredient and aroma intermediate in perfumery and cosmetics; it may also serve as a flavor/aroma component in formulation development; it can function as a solvent or processing aid in fragrance and cosmetic formulations; in industrial manufacturing it is often evaluated as an intermediate for fragrance and flavor synthesis; and it may appear as a fragrance additive in household cleaning products. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2127.18
    methanol 2749.93
    isopropanol 1636.4
    water 1.12
    ethyl acetate 1034.94
    n-propanol 1441.18
    acetone 2268.51
    n-butanol 1416.21
    acetonitrile 964.59
    DMF 2658.35
    toluene 462.93
    isobutanol 1073.8
    1,4-dioxane 1748.05
    methyl acetate 872.23
    THF 2937.62
    2-butanone 1184.42
    n-pentanol 931.1
    sec-butanol 1282.07
    n-hexane 289.81
    ethylene glycol 344.94
    NMP 2064.07
    cyclohexane 253.15
    DMSO 2352.78
    n-butyl acetate 846.29
    n-octanol 415.76
    chloroform 1843.58
    n-propyl acetate 542.46
    acetic acid 1675.05
    dichloromethane 1486.64
    cyclohexanone 1911.3
    propylene glycol 593.6
    isopropyl acetate 705.08
    DMAc 1808.59
    2-ethoxyethanol 845.22
    isopentanol 1172.9
    n-heptane 91.21
    ethyl formate 593.21
    1,2-dichloroethane 1014.31
    n-hexanol 1163.56
    2-methoxyethanol 1737.65
    isobutyl acetate 371.77
    tetrachloromethane 217.05
    n-pentyl acetate 450.25
    transcutol 3069.24
    n-heptanol 307.02
    ethylbenzene 249.72
    MIBK 665.71
    2-propoxyethanol 1392.22
    tert-butanol 1803.72
    MTBE 1241.93
    2-butoxyethanol 512.33
    propionic acid 1030.19
    o-xylene 277.19
    formic acid 417.78
    diethyl ether 1192.74
    m-xylene 357.55
    p-xylene 316.35
    chlorobenzene 597.4
    dimethyl carbonate 274.79
    n-octane 35.68
    formamide 448.22
    cyclopentanone 1841.25
    2-pentanone 1155.9
    anisole 497.85
    cyclopentyl methyl ether 1339.16
    gamma-butyrolactone 1863.56
    1-methoxy-2-propanol 1437.57
    pyridine 1068.65
    3-pentanone 717.29
    furfural 1232.87
    n-dodecane 32.42
    diethylene glycol 816.84
    diisopropyl ether 334.6
    tert-amyl alcohol 1371.31
    acetylacetone 1108.7
    n-hexadecane 36.78
    acetophenone 436.53
    methyl propionate 761.49
    isopentyl acetate 774.31
    trichloroethylene 1717.61
    n-nonanol 347.03
    cyclohexanol 1320.0
    benzyl alcohol 483.27
    2-ethylhexanol 517.41
    isooctanol 250.02
    dipropyl ether 488.7
    1,2-dichlorobenzene 457.05
    ethyl lactate 244.73
    propylene carbonate 939.93
    n-methylformamide 924.96
    2-pentanol 955.12
    n-pentane 179.82
    1-propoxy-2-propanol 967.45
    1-methoxy-2-propyl acetate 766.71
    2-(2-methoxypropoxy) propanol 637.33
    mesitylene 213.77
    ε-caprolactone 1442.58
    p-cymene 155.21
    epichlorohydrin 1752.41
    1,1,1-trichloroethane 970.44
    2-aminoethanol 724.24
    morpholine-4-carbaldehyde 1637.55
    sulfolane 2155.75
    2,2,4-trimethylpentane 81.57
    2-methyltetrahydrofuran 2102.96
    n-hexyl acetate 819.37
    isooctane 66.12
    2-(2-butoxyethoxy)ethanol 889.38
    sec-butyl acetate 394.45
    tert-butyl acetate 806.36
    decalin 123.77
    glycerin 622.07
    diglyme 1267.43
    acrylic acid 750.39
    isopropyl myristate 269.71
    n-butyric acid 1422.21
    acetyl acetate 586.71
    di(2-ethylhexyl) phthalate 276.22
    ethyl propionate 474.91
    nitromethane 1721.98
    1,2-diethoxyethane 879.44
    benzonitrile 584.7
    trioctyl phosphate 194.84
    1-bromopropane 808.64
    gamma-valerolactone 2048.72
    n-decanol 244.87
    triethyl phosphate 202.4
    4-methyl-2-pentanol 453.87
    propionitrile 772.26
    vinylene carbonate 760.94
    1,1,2-trichlorotrifluoroethane 1085.63
    DMS 500.08
    cumene 178.49
    2-octanol 239.31
    2-hexanone 727.92
    octyl acetate 368.39
    limonene 306.46
    1,2-dimethoxyethane 1531.44
    ethyl orthosilicate 208.42
    tributyl phosphate 266.55
    diacetone alcohol 918.2
    N,N-dimethylaniline 366.04
    acrylonitrile 787.81
    aniline 616.19
    1,3-propanediol 953.5
    bromobenzene 628.26
    dibromomethane 1113.14
    1,1,2,2-tetrachloroethane 1491.66
    2-methyl-cyclohexyl acetate 425.76
    tetrabutyl urea 353.94
    diisobutyl methanol 242.01
    2-phenylethanol 508.68
    styrene 319.17
    dioctyl adipate 408.62
    dimethyl sulfate 489.66
    ethyl butyrate 438.97
    methyl lactate 417.4
    butyl lactate 381.25
    diethyl carbonate 271.44
    propanediol butyl ether 680.59
    triethyl orthoformate 318.71
    p-tert-butyltoluene 161.45
    methyl 4-tert-butylbenzoate 429.43
    morpholine 2289.06
    tert-butylamine 1037.93
    n-dodecanol 178.74
    dimethoxymethane 1148.32
    ethylene carbonate 657.99
    cyrene 494.42
    2-ethoxyethyl acetate 595.85
    2-ethylhexyl acetate 553.65
    1,2,4-trichlorobenzene 555.45
    4-methylpyridine 1294.65
    dibutyl ether 549.65
    2,6-dimethyl-4-heptanol 242.01
    DEF 1224.93
    dimethyl isosorbide 974.02
    tetrachloroethylene 876.47
    eugenol 417.63
    triacetin 614.29
    span 80 635.01
    1,4-butanediol 379.79
    1,1-dichloroethane 1161.83
    2-methyl-1-pentanol 800.92
    methyl formate 637.16
    2-methyl-1-butanol 1056.8
    n-decane 55.11
    butyronitrile 1026.66
    3,7-dimethyl-1-octanol 440.46
    1-chlorooctane 262.6
    1-chlorotetradecane 95.42
    n-nonane 58.3
    undecane 39.89
    tert-butylcyclohexane 123.84
    cyclooctane 71.32
    cyclopentanol 1309.05
    tetrahydropyran 2126.54
    tert-amyl methyl ether 893.49
    2,5,8-trioxanonane 935.66
    1-hexene 795.22
    2-isopropoxyethanol 630.32
    2,2,2-trifluoroethanol 320.0
    methyl butyrate 678.91

    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
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%