Heptanal propyleneglycol acetal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4351-10-4

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC1OCC(O1)C

  • Odor profile

    Fragrance
    Green 91.2%
    Fruity 70.17%
    Fatty 63.67%
    Fresh 58.36%
    Sweet 49.26%
    Citrus 45.37%
    Herbal 45.29%
    Waxy 39.92%
    Vegetable 38.6%
    Floral 36.89%

     

    Flavor
    Green 62.39%
    Fatty 39.95%
    Fruity 39.59%
    Sweet 39.53%
    Tropical 35.39%
    Oily 34.82%
    Earthy 34.75%
    Vegetable 34.24%
    Metallic 33.67%
    Herbal 33.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.0 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 75.89 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • 2-Hexyl-4-methyl-1,3-dioxolane
    • 4351-10-4
    • Heptanal propyleneglycol acetal
    • 1,3-DIOXOLANE, 2-HEXYL-4-METHYL-
    • Heptanal, cyclic propylene acetal
    • 2-Hexyl-4-methyl-1,3-dioxolan
    • XZS283GZWC
    • NSC 6566
    • NSC-6566
    • EINECS 224-413-2
    • UNII-XZS283GZWC
    • NSC 406654
    • NSC-406654
    • BRN 0105323
    • CYCLIC PROPYLENE ACETAL
    • AI3-05026
    • FEMA NO. 4368
    • DTXSID60863370
    • HEPTANAL PROPYLENE GLYCOL ACETAL
    • (+/-)-HEPTANAL PROPYLENEGLYCOL ACETAL
    • HEPTANAL PROPYLENEGLYCOL ACETAL [FHFI]
    • 1, 2-hexyl-4-methyl-
    • HEPTANAL PROPYLENEGLYCOL ACETAL, (+/-)-
    • 4-19-00-00099 (Beilstein Handbook Reference)
    • SCHEMBL876218
    • heptanal cyclic propylene acetal
    • DTXCID80811999
    • NSC6566
    • CHEBI:179550
    • GFNFPBSXMBRHRU-UHFFFAOYSA-N
    • NSC406654
    • AKOS006277947
    • DB-322648
    • NS00045838
    • Q27294076

  • Applications

    Heptanal propyleneglycol acetal (CAS 4351-10-4) is used in the fragrance industry as a fragrance ingredient and/or fixative, helping to extend odor longevity in perfume formulations. It is also considered a raw material or solvent to support dissolution and formulation in cosmetics and household products. In the chemical industry, it can serve as an intermediate for the synthesis of other fragrance and flavor compounds. Additionally, it may be evaluated as a processing solvent or additive in polymer or coating formulations, depending on formulation design and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7149.8
    methanol 6594.43
    isopropanol 5595.25
    water 0.96
    ethyl acetate 6204.97
    n-propanol 5390.99
    acetone 6167.8
    n-butanol 5489.2
    acetonitrile 4798.65
    DMF 2641.46
    toluene 2044.58
    isobutanol 4430.16
    1,4-dioxane 6335.96
    methyl acetate 3796.95
    THF 7396.55
    2-butanone 4451.65
    n-pentanol 3647.98
    sec-butanol 4567.15
    n-hexane 1874.52
    ethylene glycol 729.71
    NMP 2300.79
    cyclohexane 2146.97
    DMSO 4764.75
    n-butyl acetate 5307.16
    n-octanol 1474.87
    chloroform 12091.91
    n-propyl acetate 3873.6
    acetic acid 4399.06
    dichloromethane 10360.52
    cyclohexanone 5756.3
    propylene glycol 1260.45
    isopropyl acetate 4379.15
    DMAc 2170.97
    2-ethoxyethanol 3284.47
    isopentanol 5326.12
    n-heptane 794.8
    ethyl formate 2729.28
    1,2-dichloroethane 5712.06
    n-hexanol 4061.59
    2-methoxyethanol 4640.37
    isobutyl acetate 2368.21
    tetrachloromethane 2427.52
    n-pentyl acetate 2685.39
    transcutol 9089.64
    n-heptanol 1384.72
    ethylbenzene 1028.4
    MIBK 2724.0
    2-propoxyethanol 4499.09
    tert-butanol 5936.66
    MTBE 6548.79
    2-butoxyethanol 2116.31
    propionic acid 3336.09
    o-xylene 1110.55
    formic acid 1037.79
    diethyl ether 7553.5
    m-xylene 1246.69
    p-xylene 1368.44
    chlorobenzene 2809.61
    dimethyl carbonate 852.96
    n-octane 266.68
    formamide 1179.6
    cyclopentanone 4623.05
    2-pentanone 4520.42
    anisole 1888.95
    cyclopentyl methyl ether 4452.28
    gamma-butyrolactone 4410.78
    1-methoxy-2-propanol 3818.68
    pyridine 4783.41
    3-pentanone 2776.7
    furfural 3266.52
    n-dodecane 178.33
    diethylene glycol 2287.18
    diisopropyl ether 2185.42
    tert-amyl alcohol 4515.65
    acetylacetone 3879.95
    n-hexadecane 208.19
    acetophenone 1605.12
    methyl propionate 2901.79
    isopentyl acetate 4180.89
    trichloroethylene 9023.71
    n-nonanol 1199.97
    cyclohexanol 4592.11
    benzyl alcohol 1569.77
    2-ethylhexanol 2369.26
    isooctanol 1148.64
    dipropyl ether 3328.84
    1,2-dichlorobenzene 2363.35
    ethyl lactate 1061.59
    propylene carbonate 2924.25
    n-methylformamide 1834.88
    2-pentanol 4133.28
    n-pentane 1393.88
    1-propoxy-2-propanol 3575.33
    1-methoxy-2-propyl acetate 3148.11
    2-(2-methoxypropoxy) propanol 1600.41
    mesitylene 877.97
    ε-caprolactone 5092.51
    p-cymene 757.63
    epichlorohydrin 5398.56
    1,1,1-trichloroethane 6292.77
    2-aminoethanol 1875.26
    morpholine-4-carbaldehyde 3017.07
    sulfolane 4099.31
    2,2,4-trimethylpentane 528.56
    2-methyltetrahydrofuran 6764.97
    n-hexyl acetate 3259.01
    isooctane 422.14
    2-(2-butoxyethoxy)ethanol 2372.74
    sec-butyl acetate 2703.04
    tert-butyl acetate 3604.48
    decalin 663.49
    glycerin 1284.79
    diglyme 4176.89
    acrylic acid 2128.74
    isopropyl myristate 964.67
    n-butyric acid 6190.1
    acetyl acetate 3387.4
    di(2-ethylhexyl) phthalate 742.62
    ethyl propionate 2761.88
    nitromethane 4590.39
    1,2-diethoxyethane 4832.13
    benzonitrile 2490.48
    trioctyl phosphate 576.17
    1-bromopropane 5405.41
    gamma-valerolactone 4830.94
    n-decanol 826.04
    triethyl phosphate 819.4
    4-methyl-2-pentanol 2002.52
    propionitrile 4093.44
    vinylene carbonate 2494.47
    1,1,2-trichlorotrifluoroethane 3842.2
    DMS 1593.46
    cumene 720.56
    2-octanol 1035.57
    2-hexanone 3289.22
    octyl acetate 1146.75
    limonene 1390.1
    1,2-dimethoxyethane 5448.07
    ethyl orthosilicate 935.49
    tributyl phosphate 834.14
    diacetone alcohol 2537.08
    N,N-dimethylaniline 1085.64
    acrylonitrile 3493.67
    aniline 2504.28
    1,3-propanediol 2860.85
    bromobenzene 3324.29
    dibromomethane 8066.75
    1,1,2,2-tetrachloroethane 7281.46
    2-methyl-cyclohexyl acetate 1611.0
    tetrabutyl urea 891.37
    diisobutyl methanol 1168.39
    2-phenylethanol 1727.44
    styrene 1435.76
    dioctyl adipate 1214.59
    dimethyl sulfate 1132.23
    ethyl butyrate 2878.5
    methyl lactate 1088.75
    butyl lactate 1494.99
    diethyl carbonate 1502.87
    propanediol butyl ether 1719.34
    triethyl orthoformate 1801.98
    p-tert-butyltoluene 728.18
    methyl 4-tert-butylbenzoate 1193.09
    morpholine 7322.2
    tert-butylamine 4580.18
    n-dodecanol 616.48
    dimethoxymethane 2753.04
    ethylene carbonate 2668.97
    cyrene 1004.24
    2-ethoxyethyl acetate 2688.15
    2-ethylhexyl acetate 3066.69
    1,2,4-trichlorobenzene 2564.35
    4-methylpyridine 4587.52
    dibutyl ether 2857.79
    2,6-dimethyl-4-heptanol 1168.39
    DEF 3708.9
    dimethyl isosorbide 2163.57
    tetrachloroethylene 4910.11
    eugenol 1085.59
    triacetin 1967.55
    span 80 1574.12
    1,4-butanediol 1239.43
    1,1-dichloroethane 7041.1
    2-methyl-1-pentanol 3175.07
    methyl formate 1361.07
    2-methyl-1-butanol 4434.22
    n-decane 336.32
    butyronitrile 5431.79
    3,7-dimethyl-1-octanol 1677.0
    1-chlorooctane 1180.16
    1-chlorotetradecane 433.77
    n-nonane 375.19
    undecane 232.09
    tert-butylcyclohexane 618.67
    cyclooctane 586.87
    cyclopentanol 3762.03
    tetrahydropyran 8529.26
    tert-amyl methyl ether 3568.6
    2,5,8-trioxanonane 2400.79
    1-hexene 4366.59
    2-isopropoxyethanol 2543.68
    2,2,2-trifluoroethanol 1136.91
    methyl butyrate 3944.02

    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