Butyl Acetate

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  • Identifiers

    CAS number
    123-86-4

    Molecular formula
    C6H12O2

    SMILES
    CCCCOC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 816.67
    • Carbowax: 1071.0

  • Odor profile

    Fruity 97.55%
    Sweet 87.23%
    Ethereal 81.7%
    Banana 71.59%
    Rummy 61.49%
    Pineapple 58.45%
    Pear 55.81%
    Apple 55.63%
    Winey 48.56%
    Solvent 44.93%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.06 [mmHg]. Odor Threshold High: 7.4 [mmHg]. Detection odor threshold from AIHA (mean = 0.31 ppm)
    • Odor thresholds of 7 ppm and 20 ppm have been reported.
    • Detection in water: 0.066 mg/kg; 0.043 mg/kg
    • 33.13 mg/cu m (odor low); 94.66 mg/cu m (odor high).

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -108.2 °F (NTP, 1992)
    • -77 °C
    • -78 °C
    • -107 °F

    Boiling point

    • 259.7 °F at 760 mmHg (NTP, 1992)
    • 126.0 °C
    • 126.10 °C. @ 760.00 mm Hg
    • 126 °C
    • 258 °F

    Flash point est.
    30.43 ˚C

    Flash point expt.

    • 72 °F (NTP, 1992)
    • 22 °C
    • 72 °F (22 °C) (Closed cup)
    • 22 °C c.c.
    • 72 °F

    Solubility expt.

    • 1 to 5 mg/mL at 68 °F (NTP, 1992)
    • In water, 8.33X10+3 mg/L at 25 °C
    • In water, 6,700 ppm at 25 °C
    • Soluble in 120 parts water at 25 °C
    • In water, 14,000 mg/L at 20 °C; 5,000 mg/L at 25 °C
    • For more Solubility (Complete) data for n-Butyl acetate (7 total), please visit the HSDB record page.
    • 8.4 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 0.7
    • miscible with alcohol, ether, propylene glycol; soluble 1 ml in 145 ml water
    • 1%

  • Synonyms

    • Butyl acetate
    • 123-86-4
    • N-BUTYL ACETATE
    • Acetic acid, butyl ester
    • Butyl ethanoate
    • 1-Butyl acetate
    • Acetic Acid Butyl Ester
    • n-Butylacetate
    • n-Butyl ethanoate
    • Butylacetat
    • 1-acetoxybutane
    • Acetic acid n-butyl ester
    • Acetate de butyle
    • Butylacetaten
    • Octan n-butylu
    • Butile(acetati di)
    • Butyl ester of acetic acid
    • n-Butyl acetate (natural)
    • 1-Butanol, acetate
    • Butyle (acetate de)
    • Butylazetat
    • CCRIS 2287
    • HSDB 152
    • Butylester kyseliny octove
    • NSC 9298
    • EINECS 204-658-1
    • CH3COO(CH2)3CH3
    • MFCD00009445
    • Essigsaeurebutylester
    • ACETIC ACID,BUTYL ESTER
    • BRN 1741921
    • DTXSID3021982
    • CHEBI:31328
    • AI3-00406
    • Essigsaeure-n-butylester
    • UNII-464P5N1905
    • NSC-9298
    • Butyl ester, acetic acid
    • BUTYL ACETATE [FCC]
    • BUTYL ACETATE [FHFI]
    • N-BUTYL ACETATE [MI]
    • n-Butyl acetate, HPLC Grade
    • BUTYL ACETATE [MART.]
    • BUTYL ESTER ACETIC ACID
    • DTXCID101982
    • BUTYL ACETATE [USP-RS]
    • N-BUTYL ACETATE [HSDB]
    • FEMA NO. 2174
    • EC 204-658-1
    • 4-02-00-00143 (Beilstein Handbook Reference)
    • 1-Butylacetate
    • 464P5N1905
    • Butyl acetate, n-
    • BUTYL ACETATE (MART.)
    • TRIBUTYL ACETYLCITRATE IMPURITY E [EP IMPURITY]
    • BUTYL ACETATE (USP-RS)
    • Butylacetat [German]
    • Butylacetaten [Dutch]
    • Octan n-butylu [Polish]
    • Acetate de butyle [French]
    • Butyle (acetate de) [French]
    • Butile (acetati di)
    • Butile (acetati di) [Italian]
    • Butylester kyseliny octove [Czech]
    • TRIBUTYL ACETYLCITRATE IMPURITY E (EP IMPURITY)
    • nButyl acetate
    • Octan nbutylu
    • nButyl ethanoate
    • 1Butyl acetate
    • nBuOAc
    • AcOBu
    • BuOAc
    • n-BuOAc
    • Butyle(acetate de)
    • normal-butyl acetate
    • Butyl acetate (OSHA)
    • Acetic acid nbutyl ester
    • nButyl acetate (natural)
    • BUTYL ACETATE (N)
    • Acetic acid, n-butyl ester
    • FEMA NUMBER 2174
    • SCHEMBL14969
    • BUTYL ACETATE [INCI]
    • WLN: 4OV1
    • n-Butyl acetate, ACS reagent
    • Butyl acetate, AR, 99.5%
    • Butyl acetate, LR, >=98%
    • CHEMBL284391
    • n-Butyl acetate (ACGIH:OSHA)
    • n-Butyl acetate Biochemical grade
    • NSC9298
    • Butyl acetate, ampule of 100 mg
    • Butyl acetate, analytical standard
    • Butyl acetate, anhydrous, >=99%
    • Butyl acetate, for HPLC, 99.7%
    • n-Butyl acetate, analytical standard
    • Tox21_201052
    • n-Butyl acetate, Semiconductor Grade
    • STL282735
    • Butyl acetate, >=99%, FCC, FG
    • AKOS000120198
    • Butyl acetate, natural, >=98%, FG
    • Butyl acetate, ACS reagent, >=99.5%
    • Butyl acetate, ReagentPlus(R), 99.5%
    • NCGC00091573-01
    • NCGC00091573-02
    • NCGC00258605-01
    • CAS-123-86-4
    • A0024
    • A0228
    • Butyl acetate, SAJ first grade, >=98.0%
    • NS00009199
    • Butyl acetate, JIS special grade, >=99.0%
    • EN300-21265
    • n-Butylacetate 100 microg/mL in Acetonitrile
    • n-Butyl acetate [UN1123] [Flammable liquid]
    • A805161
    • Q411073
    • F0001-0371
    • Butyl acetate, >=99.5%, suitable for atomic absorption spectrometry
    • Butyl acetate, United States Pharmacopeia (USP) Reference Standard
    • Butyl acetate, Pharmaceutical Secondary Standard; Certified Reference Material
    • 204-658-1
    • 8JZ

  • Applications

    Butyl acetate (CAS 123-86-4) is a fruity-smelling ester solvent with a medium evaporation rate that finds extensive use in surface-coating paints, industrial lacquers and wood finishes because it efficiently dissolves nitrocellulose, acrylic, urethane and alkyd resins, producing smooth, high-gloss films without sagging; printers rely on it in gravure, flexographic and ink-jet formulations where its balanced drying profile improves color laydown and hold-out, while adhesive and artificial-leather makers employ it as a diluent to adjust viscosity and flow; in cosmetics it appears in nail polish, hair sprays and fine fragrances as a fast-vanishing carrier for resins and perfume oils; the electronics industry uses it for precision cleaning of circuit boards and flux removal; flavourists add trace amounts to impart banana, apple and pear notes in food and beverage essences; it also serves as an extraction medium for pharmaceuticals, a solvent for 3-D printing inks and a process aid in chemical synthesis, and is being evaluated as a greener solvent when combined with vapor-recovery technology, even though handling must respect regulations concerning flammability and transient central-nervous-system effects.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1217.16
    methanol 1630.98
    isopropanol 975.06
    water 7.56
    ethyl acetate 322.52
    n-propanol 771.54
    acetone 700.79
    n-butanol 687.8
    acetonitrile 637.83
    DMF 923.62
    toluene 156.37
    isobutanol 511.0
    1,4-dioxane 876.36
    methyl acetate 347.25
    THF 1001.32
    2-butanone 385.86
    n-pentanol 386.64
    sec-butanol 645.75
    n-hexane 107.19
    ethylene glycol 312.88
    NMP 859.63
    cyclohexane 167.24
    DMSO 935.22
    n-butyl acetate 266.63
    n-octanol 272.92
    chloroform 1473.02
    n-propyl acetate 183.93
    acetic acid 1300.25
    dichloromethane 1177.85
    cyclohexanone 706.45
    propylene glycol 440.18
    isopropyl acetate 190.15
    DMAc 642.48
    2-ethoxyethanol 431.04
    isopentanol 450.91
    n-heptane 67.75
    ethyl formate 319.23
    1,2-dichloroethane 482.59
    n-hexanol 444.76
    2-methoxyethanol 880.75
    isobutyl acetate 124.74
    tetrachloromethane 190.83
    n-pentyl acetate 197.7
    transcutol 1130.35
    n-heptanol 188.45
    ethylbenzene 111.67
    MIBK 171.73
    2-propoxyethanol 518.76
    tert-butanol 852.89
    MTBE 352.65
    2-butoxyethanol 289.27
    propionic acid 649.18
    o-xylene 127.74
    formic acid 378.62
    diethyl ether 340.46
    m-xylene 111.47
    p-xylene 165.79
    chlorobenzene 279.33
    dimethyl carbonate 94.47
    n-octane 27.32
    formamide 369.89
    cyclopentanone 709.72
    2-pentanone 296.94
    anisole 228.9
    cyclopentyl methyl ether 360.57
    gamma-butyrolactone 814.71
    1-methoxy-2-propanol 626.63
    pyridine 604.53
    3-pentanone 208.99
    furfural 736.39
    n-dodecane 26.67
    diethylene glycol 406.62
    diisopropyl ether 89.52
    tert-amyl alcohol 620.22
    acetylacetone 332.11
    n-hexadecane 29.28
    acetophenone 217.57
    methyl propionate 243.72
    isopentyl acetate 230.16
    trichloroethylene 931.47
    n-nonanol 219.75
    cyclohexanol 637.64
    benzyl alcohol 247.85
    2-ethylhexanol 239.6
    isooctanol 145.03
    dipropyl ether 193.63
    1,2-dichlorobenzene 261.54
    ethyl lactate 138.54
    propylene carbonate 420.94
    n-methylformamide 493.55
    2-pentanol 396.12
    n-pentane 101.89
    1-propoxy-2-propanol 380.45
    1-methoxy-2-propyl acetate 217.11
    2-(2-methoxypropoxy) propanol 326.98
    mesitylene 77.19
    ε-caprolactone 574.36
    p-cymene 90.43
    epichlorohydrin 657.72
    1,1,1-trichloroethane 496.77
    2-aminoethanol 558.76
    morpholine-4-carbaldehyde 760.05
    sulfolane 918.77
    2,2,4-trimethylpentane 43.78
    2-methyltetrahydrofuran 700.6
    n-hexyl acetate 365.23
    isooctane 27.9
    2-(2-butoxyethoxy)ethanol 424.44
    sec-butyl acetate 126.34
    tert-butyl acetate 193.47
    decalin 60.4
    glycerin 477.16
    diglyme 621.14
    acrylic acid 577.75
    isopropyl myristate 135.01
    n-butyric acid 749.19
    acetyl acetate 227.2
    di(2-ethylhexyl) phthalate 151.97
    ethyl propionate 163.74
    nitromethane 1031.77
    1,2-diethoxyethane 297.46
    benzonitrile 372.94
    trioctyl phosphate 116.36
    1-bromopropane 344.63
    gamma-valerolactone 881.37
    n-decanol 155.23
    triethyl phosphate 110.97
    4-methyl-2-pentanol 186.85
    propionitrile 452.81
    vinylene carbonate 417.7
    1,1,2-trichlorotrifluoroethane 605.36
    DMS 199.84
    cumene 89.54
    2-octanol 155.46
    2-hexanone 222.21
    octyl acetate 186.31
    limonene 156.56
    1,2-dimethoxyethane 666.37
    ethyl orthosilicate 100.34
    tributyl phosphate 139.01
    diacetone alcohol 301.18
    N,N-dimethylaniline 175.36
    acrylonitrile 540.59
    aniline 286.95
    1,3-propanediol 639.07
    bromobenzene 284.48
    dibromomethane 781.58
    1,1,2,2-tetrachloroethane 792.22
    2-methyl-cyclohexyl acetate 185.86
    tetrabutyl urea 181.44
    diisobutyl methanol 119.15
    2-phenylethanol 240.96
    styrene 146.57
    dioctyl adipate 220.95
    dimethyl sulfate 181.57
    ethyl butyrate 189.19
    methyl lactate 204.44
    butyl lactate 193.42
    diethyl carbonate 142.2
    propanediol butyl ether 375.63
    triethyl orthoformate 142.6
    p-tert-butyltoluene 90.13
    methyl 4-tert-butylbenzoate 238.63
    morpholine 1032.08
    tert-butylamine 559.34
    n-dodecanol 117.56
    dimethoxymethane 354.23
    ethylene carbonate 322.59
    cyrene 245.13
    2-ethoxyethyl acetate 232.94
    2-ethylhexyl acetate 176.51
    1,2,4-trichlorobenzene 310.49
    4-methylpyridine 543.56
    dibutyl ether 224.13
    2,6-dimethyl-4-heptanol 119.15
    DEF 399.57
    dimethyl isosorbide 416.91
    tetrachloroethylene 525.54
    eugenol 242.12
    triacetin 317.59
    span 80 371.75
    1,4-butanediol 262.64
    1,1-dichloroethane 585.06
    2-methyl-1-pentanol 312.7
    methyl formate 324.32
    2-methyl-1-butanol 435.91
    n-decane 43.57
    butyronitrile 517.19
    3,7-dimethyl-1-octanol 231.01
    1-chlorooctane 133.58
    1-chlorotetradecane 58.74
    n-nonane 43.89
    undecane 32.56
    tert-butylcyclohexane 57.05
    cyclooctane 38.72
    cyclopentanol 696.32
    tetrahydropyran 816.95
    tert-amyl methyl ether 254.99
    2,5,8-trioxanonane 490.17
    1-hexene 269.84
    2-isopropoxyethanol 278.48
    2,2,2-trifluoroethanol 261.59
    methyl butyrate 255.45

    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
Bergamot (China) 1 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Spike lavender (Spain) 2 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.05%
Rosa chinensis (headspace), China Rosa chinensis Jacq., fam. Rosaceae 0.13%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.1%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.06%
Litsea zeylanica Litsea zeylanica Nees, fam. Lauraceae 0.22%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 9.08%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.03%
Violet odorata leaf 1 8024-08-6 Viola odorata L., fam. Violaceae 0.6%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 0.42%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.11%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.45%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Michelia balansae flower headspace (China) Michelia balansae (A. DC.) Dandy, fam. Magnoliaceae 2.81%
Michelia figo flower headspace (China) Michelia figo (Lour.) Spreng, fam. Magnoliaceae 53.06%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 22.24%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.19%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.1%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.1%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.1%
Pummelo (Shaddock) (India) peel 84696-38-8 Citrus maxima (J. Burman) Merrill. (C. grandis (L.) Osbeck), fam. Rutaceae 0.01%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 1.5%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.1%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.01%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%