Isobutyl alcohol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    78-83-1

    Molecular formula
    C4H10O

    SMILES
    CC(C)CO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 642.0
    • Carbowax: 1086.14

  • Odor profile

    Sweet 77.25%
    Ethereal 74.89%
    Fermented 73.48%
    Alcoholic 73.27%
    Solvent 67.0%
    Winey 52.6%
    Oily 50.48%
    Fruity 42.0%
    Musty 40.31%
    Pungent 38.97%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.66 [mmHg]. Odor Threshold High: 40.0 [mmHg]. Detection odor threshold from AIHA (mean = 3.6 ppm)
    • 40 ppm

  • Properties

    XLogP3-AA
    0.8

    Molecular weight
    74.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -162 °F (NTP, 1992)
    • -108 °C
    • -162 °F

    Boiling point

    • 225 °F at 760 mmHg (NTP, 1992)
    • 108 °C
    • 108.00 to 109.00 °C. @ 760.00 mm Hg
    • 227 °F

    Flash point est.
    22.34 ˚C

    Flash point expt.

    • 82 °F (NTP, 1992)
    • 82 °F
    • Flash points: 28 °C, closed cup; 37.78 °C, open cup
    • 28 °C c.c.

    Solubility expt.

    • 50 to 100 mg/mL at 61 °F (NTP, 1992)
    • In water, 66.5-90.9 g/L at 25 °C
    • In water, 8.5X10+4 mg/L at 25 °C
    • Solubility in water at 20 °C: 8.5 wt%
    • Soluble in carbon tetrachloride
    • For more Solubility (Complete) data for ISOBUTYL ALCOHOL (6 total), please visit the HSDB record page.
    • 85 mg/mL at 25 °C
    • Solubility in water, g/100ml at 20 °C: 8.7
    • miscible with alcohol, ether; soluble in water 1 ml in 140 ml
    • 10%

  • Synonyms

    • Isobutanol
    • 2-Methyl-1-propanol
    • ISOBUTYL ALCOHOL
    • 2-Methylpropan-1-ol
    • 78-83-1
    • 1-Propanol, 2-methyl-
    • Isopropylcarbinol
    • 1-Hydroxymethylpropane
    • Iso-butyl alcohol
    • 2-Methylpropyl alcohol
    • i-Butyl alcohol
    • Isobutylalkohol
    • 2-Methylpropanol
    • 2-Methyl propanol
    • Alcool isobutylique
    • i-Butanol
    • Fermentation butyl alcohol
    • RCRA waste number U140
    • Isobutylalkohol [Czech]
    • FEMA No. 2179
    • FEMA Number 2179
    • Isopropyl carbinol
    • Isobutyl alcohol (natural)
    • 2-Methylpropanol-1
    • NSC 5708
    • Alcool isobutylique [French]
    • HSDB 49
    • iso-C4H9OH
    • CCRIS 2300
    • Isopropyl carbitol
    • EINECS 201-148-0
    • UNII-56F9Z98TEM
    • MFCD00004740
    • UN1212
    • BRN 1730878
    • 56F9Z98TEM
    • DTXSID0021759
    • CHEBI:46645
    • Methyl-2 propanol-1
    • AI3-01777
    • NSC-5708
    • 2-methyl-1-propanyl alcohol
    • ISOBUTYL ALCOHOL [II]
    • ISOBUTYL ALCOHOL [MI]
    • ISOBUTYL ALCOHOL [FCC]
    • DTXCID601759
    • ISOBUTYL ALCOHOL [FHFI]
    • ISOBUTYL ALCOHOL [HSDB]
    • ISOBUTYL ALCOHOL [MART.]
    • EC 201-148-0
    • 4-01-00-01588 (Beilstein Handbook Reference)
    • ISOBUTYL ALCOHOL (ISOBUTANOL)
    • 2-METHYL-1-PROPANOL [USP-RS]
    • Isobutylalkohol (Czech)
    • Alcool isobutylique (French)
    • ISOBUTYL ALCOHOL (II)
    • ISOBUTYL ALCOHOL (MART.)
    • iso-butanol
    • 2-METHYL-1-PROPANOL (USP-RS)
    • 2-?Methyl-?1-?propanol(Isobutyl Alcohol)
    • RCRA waste no. U140
    • isobutylalcohol
    • iso butanol
    • Butanol-iso
    • 2methyl propanol
    • 2-methylpropanoI
    • 2Methyl1propanol
    • iBuOH
    • 2-methyl-propanol
    • iso-BuOH
    • 1Hydroxymethylpropane
    • i-BuOH
    • 1Propanol, 2methyl
    • 2-methyl-l-propanol
    • 2-methyl-n-propanol
    • 2Methylpropyl alcohol
    • Isobutanol ACS grade
    • Propanol, 2-methyl-
    • 1-propanol, 2-methyl
    • 2-methyl-propan-1-ol
    • 2-methyl propyl alcohol
    • Isobutanol, HPLC Grade
    • Isobutanol, Isobutyl alcohol
    • Pesticide Code: 001507
    • BIDD:ER0628
    • Isobutanol or isobutyl alcohol
    • 2-Methyl-1-propanol, 99%
    • CHEMBL269630
    • Isobutyl alcohol (ACGIH:OSHA)
    • WLN: Q1Y1&1
    • NSC5708
    • 2-Methyl-1-propanol, 99.5%
    • 2-Methyl-1-propanol, AR, 99%
    • Isobutanol, Spectrophotometric Grade
    • Tox21_201214
    • LMFA05000100
    • STL185664
    • 2-methyl-1-propanol(isobutyl alcohol)
    • 2-Methyl-1-propanol, LR, >=99%
    • AKOS000118740
    • FM59577
    • Isobutyl alcohol, >=99%, FCC, FG
    • UN 1212
    • CAS-78-83-1
    • NCGC00091851-01
    • NCGC00091851-02
    • NCGC00258766-01
    • 2-Methyl-1-propanol, analytical standard
    • 2-Methyl-1-propanol, anhydrous, 99.5%
    • 2-Methyl-1-propanol, for HPLC, 99.5%
    • Isobutyl alcohol, ACS reagent, >=99.0%
    • 2-?Methyl-?1-?propanol (Isobutyl Alcohol)
    • I0094
    • NS00008599
    • EN300-19336
    • Isobutyl alcohol 5000 microg/mL in Methanol
    • 2-Methyl-1-propanol 10 microg/mL in Methanol
    • Isobutyl alcohol, natural, >=99%, FCC, FG
    • 2-Methyl-1-propanol, ACS reagent, >=99.0%
    • Q151797
    • 2-Methyl-1-propanol, p.a., ACS reagent, 99.0%
    • 2-Methyl-1-propanol, SAJ first grade, >=99.0%
    • 2-Methyl-1-propanol, JIS special grade, >=99.0%
    • F0001-2058
    • 2-Methyl-1-propanol, reag. ISO, 99%, UV HPLC spectroscopic
    • Isobutanol or isobutyl alcohol [UN1212] [Flammable liquid]
    • 2-Methyl-1-propanol, puriss. p.a., ACS reagent, >=99.5% (GC)
    • 2-Methyl-1-propanol, BioUltra, for molecular biology, >=99.5% (GC)

  • Applications

    Isobutyl alcohol (IBA, iso-butanol, CAS 78-83-1) is a versatile organic solvent widely employed in industrial coatings, varnishes, printing inks and nitro-cellulose finishes due to its medium evaporation rate and strong solvency; it serves as a diluent to control viscosity, extend open time, enhance surface gloss and minimize brush marks, and also functions as a binder component in adhesives and synthetic resins; in chemical manufacture IBA is an important intermediate for esterification to isobutyl acetate with a fruity odor for food flavors, perfumes and paint thinners, for producing phthalate and adipate esters used as PVC plasticizers, and for synthesizing antioxidants, lubricant additives, pesticides and pharmaceuticals; it is further applied as an extraction solvent for botanicals, a reaction medium for acrylate polymers, a frothing agent in mineral flotation, a defoamer in cleaning formulations, a gasoline additive that raises octane in bio-blends, and as a microbiological reagent that inhibits mold growth.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 298.72
    methanol 296.14
    isopropanol 208.47
    water 14.67
    ethyl acetate 62.88
    n-propanol 244.92
    acetone 63.3
    n-butanol 269.19
    acetonitrile 69.66
    DMF 62.09
    toluene 12.33
    isobutanol 161.01
    1,4-dioxane 87.68
    methyl acetate 70.56
    THF 162.89
    2-butanone 73.33
    n-pentanol 128.04
    sec-butanol 199.95
    n-hexane 22.08
    ethylene glycol 119.35
    NMP 94.31
    cyclohexane 16.98
    DMSO 88.59
    n-butyl acetate 111.6
    n-octanol 81.73
    chloroform 182.49
    n-propyl acetate 54.42
    acetic acid 360.68
    dichloromethane 98.63
    cyclohexanone 99.97
    propylene glycol 173.04
    isopropyl acetate 40.53
    DMAc 65.22
    2-ethoxyethanol 138.69
    isopentanol 174.15
    n-heptane 30.32
    ethyl formate 71.88
    1,2-dichloroethane 50.4
    n-hexanol 200.39
    2-methoxyethanol 241.26
    isobutyl acetate 38.11
    tetrachloromethane 60.67
    n-pentyl acetate 60.55
    transcutol 305.13
    n-heptanol 115.72
    ethylbenzene 11.6
    MIBK 39.96
    2-propoxyethanol 212.68
    tert-butanol 226.1
    MTBE 71.07
    2-butoxyethanol 173.27
    propionic acid 227.63
    o-xylene 13.75
    formic acid 170.21
    diethyl ether 58.42
    m-xylene 12.38
    p-xylene 17.56
    chlorobenzene 27.23
    dimethyl carbonate 14.53
    n-octane 10.3
    formamide 121.25
    cyclopentanone 117.6
    2-pentanone 60.81
    anisole 28.2
    cyclopentyl methyl ether 68.84
    gamma-butyrolactone 130.85
    1-methoxy-2-propanol 166.42
    pyridine 68.93
    3-pentanone 40.69
    furfural 123.0
    n-dodecane 6.37
    diethylene glycol 173.04
    diisopropyl ether 21.18
    tert-amyl alcohol 199.79
    acetylacetone 43.57
    n-hexadecane 6.38
    acetophenone 32.23
    methyl propionate 47.25
    isopentyl acetate 85.1
    trichloroethylene 111.06
    n-nonanol 70.5
    cyclohexanol 129.25
    benzyl alcohol 46.34
    2-ethylhexanol 122.01
    isooctanol 87.94
    dipropyl ether 71.61
    1,2-dichlorobenzene 27.78
    ethyl lactate 48.5
    propylene carbonate 91.3
    n-methylformamide 83.62
    2-pentanol 150.82
    n-pentane 22.45
    1-propoxy-2-propanol 193.18
    1-methoxy-2-propyl acetate 69.49
    2-(2-methoxypropoxy) propanol 101.7
    mesitylene 9.52
    ε-caprolactone 102.65
    p-cymene 21.45
    epichlorohydrin 99.35
    1,1,1-trichloroethane 66.9
    2-aminoethanol 216.7
    morpholine-4-carbaldehyde 96.76
    sulfolane 130.53
    2,2,4-trimethylpentane 16.12
    2-methyltetrahydrofuran 128.56
    n-hexyl acetate 75.35
    isooctane 11.01
    2-(2-butoxyethoxy)ethanol 157.69
    sec-butyl acetate 37.42
    tert-butyl acetate 50.05
    decalin 9.54
    glycerin 219.49
    diglyme 181.1
    acrylic acid 187.17
    isopropyl myristate 29.39
    n-butyric acid 277.11
    acetyl acetate 42.04
    di(2-ethylhexyl) phthalate 37.16
    ethyl propionate 39.17
    nitromethane 149.42
    1,2-diethoxyethane 64.35
    benzonitrile 45.59
    trioctyl phosphate 32.79
    1-bromopropane 47.27
    gamma-valerolactone 133.78
    n-decanol 50.31
    triethyl phosphate 35.83
    4-methyl-2-pentanol 78.44
    propionitrile 81.39
    vinylene carbonate 70.51
    1,1,2-trichlorotrifluoroethane 174.13
    DMS 30.93
    cumene 13.59
    2-octanol 67.78
    2-hexanone 53.79
    octyl acetate 41.76
    limonene 36.96
    1,2-dimethoxyethane 99.34
    ethyl orthosilicate 38.73
    tributyl phosphate 35.14
    diacetone alcohol 96.55
    N,N-dimethylaniline 23.52
    acrylonitrile 83.09
    aniline 50.11
    1,3-propanediol 264.17
    bromobenzene 19.32
    dibromomethane 78.61
    1,1,2,2-tetrachloroethane 111.1
    2-methyl-cyclohexyl acetate 62.55
    tetrabutyl urea 36.1
    diisobutyl methanol 60.4
    2-phenylethanol 62.14
    styrene 12.98
    dioctyl adipate 42.92
    dimethyl sulfate 23.62
    ethyl butyrate 75.65
    methyl lactate 52.85
    butyl lactate 78.36
    diethyl carbonate 43.24
    propanediol butyl ether 151.59
    triethyl orthoformate 58.17
    p-tert-butyltoluene 21.16
    methyl 4-tert-butylbenzoate 57.5
    morpholine 134.63
    tert-butylamine 149.02
    n-dodecanol 37.46
    dimethoxymethane 39.26
    ethylene carbonate 58.88
    cyrene 67.11
    2-ethoxyethyl acetate 59.66
    2-ethylhexyl acetate 66.02
    1,2,4-trichlorobenzene 37.01
    4-methylpyridine 49.96
    dibutyl ether 52.27
    2,6-dimethyl-4-heptanol 60.4
    DEF 60.22
    dimethyl isosorbide 110.28
    tetrachloroethylene 98.65
    eugenol 70.37
    triacetin 65.26
    span 80 124.98
    1,4-butanediol 100.6
    1,1-dichloroethane 65.28
    2-methyl-1-pentanol 110.65
    methyl formate 50.1
    2-methyl-1-butanol 176.25
    n-decane 11.09
    butyronitrile 101.92
    3,7-dimethyl-1-octanol 77.24
    1-chlorooctane 30.9
    1-chlorotetradecane 12.28
    n-nonane 11.2
    undecane 7.96
    tert-butylcyclohexane 12.65
    cyclooctane 7.33
    cyclopentanol 159.11
    tetrahydropyran 101.06
    tert-amyl methyl ether 62.42
    2,5,8-trioxanonane 123.57
    1-hexene 48.32
    2-isopropoxyethanol 99.28
    2,2,2-trifluoroethanol 126.74
    methyl butyrate 60.29

    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
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 21.0%
Basil (Italy) 2 var. hispidum Ocimum basilicum L. cultivar hispidum (Lam.) Chiov., fam. Lamiaceae 0.06%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Basil, var. hispidum (Somalia) Ocimum basilicum L. cultivar hispidum, fam. Lamiaceae (Labiatae) 0.06%
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.01%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.08%
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 1.0%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Turkey) 5 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.31%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 2.1%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.06%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 6.3%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.31%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 4.0%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.12%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 2.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.8%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 7.65%