Octyl formate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    112-32-3

    Molecular formula
    C9H18O2

    SMILES
    CCCCCCCCOC=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1426.0

  • Odor profile

    Fruity 84.9%
    Green 82.24%
    Waxy 74.32%
    Floral 67.38%
    Citrus 63.71%
    Fresh 59.98%
    Sweet 56.31%
    Fatty 54.64%
    Rose 53.62%
    Orange 48.19%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -39.1 °C

    Boiling point

    • 87.00 to 89.00 °C. @ 20.00 mm Hg

    Flash point est.
    73.47 ˚C

    Solubility expt.

    • soluble in most fixed oils, mineral oil, propylene glycol; insoluble in glycerol
    • 1 ml in 5 ml 70% alcohol (in ethanol)

  • Synonyms

    • Octyl formate
    • 112-32-3
    • n-Octyl formate
    • FORMIC ACID, OCTYL ESTER
    • Octyl methanoate
    • n-Octyl methanoate
    • Octyl alcohol, formate
    • 1-Octyl formate
    • formic acid octyl ester
    • Octyl formiate
    • FEMA No. 2809
    • UNII-2XZ47CUU7G
    • EINECS 203-959-5
    • 2XZ47CUU7G
    • NSC 404473
    • BRN 1755259
    • Octyl alcohol, formate (6CI)
    • NSC-404473
    • OCTYL FORMATE [FCC]
    • N-OCTYL FORMATE [FHFI]
    • DTXSID4059417
    • CHEBI:87496
    • FEMA 2809
    • Octyl formic acid
    • N- octyl formate
    • 1- octyl formate
    • Octyl methanoic acid
    • MFCD00046147
    • N-Octyl formic acid
    • Formic acid, octylester
    • SCHEMBL79532
    • DTXCID5033258
    • Octyl formate, >=97%, FCC
    • LMFA07010980
    • NSC404473
    • AKOS024437507
    • AS-85238
    • DB-041076
    • NS00013093
    • E79227
    • Q3077502
    • 203-959-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5184.82
    methanol 5575.97
    isopropanol 4039.62
    water 0.07
    ethyl acetate 4704.87
    n-propanol 3661.02
    acetone 8878.1
    n-butanol 3090.4
    acetonitrile 3703.53
    DMF 4336.91
    toluene 1128.61
    isobutanol 2423.26
    1,4-dioxane 3964.95
    methyl acetate 2792.05
    THF 7057.98
    2-butanone 5132.18
    n-pentanol 2005.02
    sec-butanol 2733.81
    n-hexane 762.38
    ethylene glycol 341.85
    NMP 2690.23
    cyclohexane 929.94
    DMSO 7853.66
    n-butyl acetate 3458.34
    n-octanol 579.27
    chloroform 5062.61
    n-propyl acetate 3204.75
    acetic acid 2784.83
    dichloromethane 5981.61
    cyclohexanone 6176.63
    propylene glycol 682.17
    isopropyl acetate 2506.9
    DMAc 1755.11
    2-ethoxyethanol 2165.48
    isopentanol 2538.19
    n-heptane 288.22
    ethyl formate 1986.64
    1,2-dichloroethane 5172.89
    n-hexanol 1940.1
    2-methoxyethanol 4201.56
    isobutyl acetate 1411.53
    tetrachloromethane 833.96
    n-pentyl acetate 1398.53
    transcutol 6418.1
    n-heptanol 573.64
    ethylbenzene 572.09
    MIBK 1957.09
    2-propoxyethanol 2572.99
    tert-butanol 4120.13
    MTBE 3432.37
    2-butoxyethanol 1210.83
    propionic acid 2228.47
    o-xylene 545.28
    formic acid 474.42
    diethyl ether 4635.81
    m-xylene 706.21
    p-xylene 721.74
    chlorobenzene 1548.95
    dimethyl carbonate 499.98
    n-octane 90.26
    formamide 962.83
    cyclopentanone 6029.08
    2-pentanone 4867.74
    anisole 1074.29
    cyclopentyl methyl ether 3730.35
    gamma-butyrolactone 5167.43
    1-methoxy-2-propanol 3169.85
    pyridine 3965.82
    3-pentanone 2514.82
    furfural 2956.66
    n-dodecane 45.8
    diethylene glycol 1314.98
    diisopropyl ether 965.38
    tert-amyl alcohol 2669.37
    acetylacetone 3294.16
    n-hexadecane 55.65
    acetophenone 987.88
    methyl propionate 2674.15
    isopentyl acetate 2391.29
    trichloroethylene 6960.36
    n-nonanol 477.1
    cyclohexanol 2806.98
    benzyl alcohol 918.39
    2-ethylhexanol 1157.14
    isooctanol 494.59
    dipropyl ether 2019.04
    1,2-dichlorobenzene 1246.67
    ethyl lactate 654.4
    propylene carbonate 2114.3
    n-methylformamide 2554.89
    2-pentanol 2219.16
    n-pentane 444.57
    1-propoxy-2-propanol 2357.39
    1-methoxy-2-propyl acetate 1975.31
    2-(2-methoxypropoxy) propanol 871.04
    mesitylene 443.49
    ε-caprolactone 3770.96
    p-cymene 342.65
    epichlorohydrin 5532.94
    1,1,1-trichloroethane 3803.72
    2-aminoethanol 1143.69
    morpholine-4-carbaldehyde 2534.46
    sulfolane 5014.24
    2,2,4-trimethylpentane 136.02
    2-methyltetrahydrofuran 5717.67
    n-hexyl acetate 1559.99
    isooctane 122.29
    2-(2-butoxyethoxy)ethanol 1352.85
    sec-butyl acetate 1691.3
    tert-butyl acetate 2282.89
    decalin 247.51
    glycerin 678.16
    diglyme 2742.05
    acrylic acid 1468.02
    isopropyl myristate 461.09
    n-butyric acid 4179.31
    acetyl acetate 1578.89
    di(2-ethylhexyl) phthalate 337.39
    ethyl propionate 2153.86
    nitromethane 4595.27
    1,2-diethoxyethane 2819.45
    benzonitrile 1408.98
    trioctyl phosphate 275.94
    1-bromopropane 3498.38
    gamma-valerolactone 5383.96
    n-decanol 314.16
    triethyl phosphate 478.93
    4-methyl-2-pentanol 951.32
    propionitrile 2910.31
    vinylene carbonate 1672.07
    1,1,2-trichlorotrifluoroethane 2892.16
    DMS 865.83
    cumene 344.3
    2-octanol 453.74
    2-hexanone 3187.78
    octyl acetate 544.82
    limonene 677.07
    1,2-dimethoxyethane 3937.35
    ethyl orthosilicate 496.5
    tributyl phosphate 415.54
    diacetone alcohol 2131.43
    N,N-dimethylaniline 585.77
    acrylonitrile 3170.3
    aniline 1441.63
    1,3-propanediol 1801.01
    bromobenzene 1787.72
    dibromomethane 4535.28
    1,1,2,2-tetrachloroethane 5038.88
    2-methyl-cyclohexyl acetate 951.95
    tetrabutyl urea 494.58
    diisobutyl methanol 631.38
    2-phenylethanol 913.68
    styrene 840.55
    dioctyl adipate 659.83
    dimethyl sulfate 793.55
    ethyl butyrate 1934.54
    methyl lactate 760.08
    butyl lactate 915.32
    diethyl carbonate 897.35
    propanediol butyl ether 1026.29
    triethyl orthoformate 952.2
    p-tert-butyltoluene 328.54
    methyl 4-tert-butylbenzoate 656.6
    morpholine 6254.25
    tert-butylamine 2571.58
    n-dodecanol 226.12
    dimethoxymethane 2517.13
    ethylene carbonate 1525.83
    cyrene 654.03
    2-ethoxyethyl acetate 1585.1
    2-ethylhexyl acetate 1669.99
    1,2,4-trichlorobenzene 1311.33
    4-methylpyridine 3282.48
    dibutyl ether 1540.97
    2,6-dimethyl-4-heptanol 631.38
    DEF 3670.49
    dimethyl isosorbide 1453.05
    tetrachloroethylene 3403.18
    eugenol 656.87
    triacetin 1026.88
    span 80 876.5
    1,4-butanediol 599.97
    1,1-dichloroethane 5121.08
    2-methyl-1-pentanol 1535.11
    methyl formate 1419.25
    2-methyl-1-butanol 2044.25
    n-decane 101.71
    butyronitrile 3530.28
    3,7-dimethyl-1-octanol 655.12
    1-chlorooctane 500.41
    1-chlorotetradecane 141.14
    n-nonane 116.39
    undecane 64.43
    tert-butylcyclohexane 224.52
    cyclooctane 207.58
    cyclopentanol 2937.56
    tetrahydropyran 6990.83
    tert-amyl methyl ether 2005.32
    2,5,8-trioxanonane 1465.54
    1-hexene 2411.34
    2-isopropoxyethanol 1581.96
    2,2,2-trifluoroethanol 530.39
    methyl butyrate 3354.59

    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
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.81%