Isoamyl alcohol

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  • Identifiers

    CAS number
    123-51-3

    Molecular formula
    C5H12O

    SMILES
    CC(C)CCO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 738.86
    • Carbowax: 1203.71

  • Odor profile

    Fermented 81.58%
    Alcoholic 81.51%
    Fruity 80.03%
    Ethereal 77.22%
    Solvent 67.61%
    Winey 63.78%
    Sweet 58.94%
    Pungent 58.15%
    Oily 56.92%
    Green 54.96%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.02 [mmHg]. Odor Threshold High: 0.07 [mmHg]. Odor threshold from AIHA
    • The odor threshold for 3-methyl-1-butanol is 25 mg/cu m (both low and high threshold levels).

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    88.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -179 °F (NIOSH, 2024)
    • -117.2 °C
    • -117 °C
    • -179 °F

    Boiling point

    • 270 °F at 760 mmHg (USCG, 1999)
    • 132.5 °C
    • 131.00 to 133.00 °C. @ 760.00 mm Hg
    • 132 °C
    • 270 °F

    Flash point est.
    36.57 ˚C

    Flash point expt.

    • 114 °F (USCG, 1999)
    • 43 °C
    • 109 °F (43 °C) (Closed cup)
    • 42 °C c.c.
    • 114 °F

    Solubility expt.

    • 2 % at 57 °F (NIOSH, 2024)
    • MISCIBLE WITH ALC, ETHER, BENZENE, CHLOROFORM, PETROLEUM ETHER, GLACIAL ACETIC ACID, OILS
    • VERY SOL IN ACETONE
    • Water solubility = 2.67X10+4 mg/l @ 25 °C
    • 26.7 mg/mL at 25 °C
    • Solubility in water, g/100ml: 2.5 (moderate)
    • Soluble in ethanol, water and most organic solvents

  • Synonyms

    • Isoamyl alcohol
    • 3-Methyl-1-butanol
    • Isopentyl alcohol
    • 3-Methylbutan-1-ol
    • 123-51-3
    • Isopentanol
    • 3-Methylbutanol
    • 1-Butanol, 3-methyl-
    • Isoamylol
    • Isobutylcarbinol
    • Iso-amylalkohol
    • 2-Methyl-4-butanol
    • Isobutyl carbinol
    • Iso-amyl alcohol
    • ISOAMYLALCOHOL
    • Alcool isoamylique
    • Amylowy alkohol
    • Isoamyl alkohol
    • Alcool amilico
    • Fermentation amyl alcohol
    • i-Amyl Alcohol
    • 3-Metil-butanolo
    • isopentan-1-ol
    • Primary isoamyl alcohol
    • Isoamyl alcohol (natural)
    • 1-Hydroxy-3-Methylbutane
    • FEMA No. 2057
    • FEMA Number 2057
    • MFCD00002934
    • NSC 1029
    • 3-methylbutyl alcohol
    • HSDB 605
    • Isopentylalkohol
    • 3-Methyl-Butan-1-Ol
    • Isoamyl alcohol, primary
    • UNII-DEM9NIT1J4
    • DEM9NIT1J4
    • 3-methyl-Butanol
    • EINECS 204-633-5
    • CCRIS 8806
    • DTXSID3025469
    • CHEBI:15837
    • AI3-15288
    • Methyl-3-butan-1-ol
    • NSC-1029
    • NSC-7905
    • Butan-1-ol, 3-methyl
    • Fuseloel
    • DTXCID705469
    • Huile de fusel
    • 3-METHYL-BUTAN-(1)-OL
    • EC 204-633-5
    • EINECS 229-179-5
    • Magnesium bis(3-methylbutan-1-olate)
    • isoamyl-alcohol
    • WLN: Q2Y1 & 1
    • Isoamyl alkohol [Czech]
    • Alcool amilico [Italian]
    • Amylowy alkohol [Polish]
    • Iso-amylalkohol [German]
    • 3-METHYL-1-BUTANOL (USP-RS)
    • 3-METHYL-1-BUTANOL [USP-RS]
    • Alcool isoamylique [French]
    • 3-Metil-butanolo [Italian]
    • 6423-06-9
    • iso-amylalcohol
    • isopentylalcohol
    • 3-methylbutanoI
    • 3-methyl butanol
    • Iso Amyl Alcohol
    • 3-methyl 1-butanol
    • 3-methyl-1 butanol
    • 3-methylbutane-1-ol
    • Butanol, 3-methyl-
    • Isoamyl alcohol (primary and secondary)
    • POTATO SPIRIT OIL
    • 3-Methyl-1-butanol, 98%
    • ISOAMYL ALCOHOL [FCC]
    • ISOAMYL ALCOHOL [FHFI]
    • ISOAMYL ALCOHOL [HSDB]
    • ISOPENTYL ALCOHOL [MI]
    • CHEMBL372396
    • QSPL 002
    • Isoamyl alcohol, >=98%, FG
    • NSC1029
    • NSC7905
    • Isoamyl alcohol (3-methyl butanol)
    • isopentyl alcohol (isoamyl alcohol)
    • 3-Methylbutanol, analytical standard
    • Tox21_302359
    • LMFA05000108
    • STL282718
    • 3-Methyl-1-butanol A.C.S. Reagent
    • 3-Methyl-1-butanol, LR, >=98%
    • AKOS000118739
    • DB02296
    • FM45118
    • 3-Methyl-1-butanol, p.a., 99.8%
    • Isoamyl alcohol, natural, >=98%, FG
    • 3-Methyl-1-butanol, analytical standard
    • NCGC00255329-01
    • 3-Methyl-1-butanol, anhydrous, >=99%
    • CAS-123-51-3
    • 3-Methyl-1-butanol, reagent grade, 98%
    • 3-Methyl-1-butanol, technical grade, 95%
    • Isoamyl alcohol;Isopentanol;Isobutylcarbinol
    • I0289
    • NS00008204
    • EN300-19333
    • 3-Methyl-1-butanol, ACS reagent, >=98.5%
    • 3-Methyl-1-butanol, biotech. grade, >=99%
    • 3-Methyl-1-butanol, ReagentPlus(R), >=99%
    • C07328
    • 3-Methyl-1-butanol, SAJ first grade, >=96.0%
    • Q223101
    • 3-Methyl-1-butanol, JIS special grade, >=98.0%
    • F0001-0367
    • Z104473558
    • 3-Methylbutanol, BioReagent, for molecular biology, >=98.5%
    • 3-Methylbutanol, BioUltra, for molecular biology, >=99.0% (GC)
    • InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H
    • 3-Methyl-1-butanol, United States Pharmacopeia (USP) Reference Standard
    • 3-Methylbutanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%
    • 204-633-5

  • Applications

    Isoamyl alcohol (also known as isoamylol or isopentyl alcohol, CAS 123-51-3) is a primary alcohol with a characteristic ripe-banana odor, widely used in the flavor and fragrance industry to formulate banana, pear, apple and other fruit essences; in perfumery and cosmetics as a scent modifier, fixative and solvent for essential oils; in paints, printing inks and nitrocellulose coatings as a medium-boiling solvent that controls evaporation rate and film gloss; in biochemical and chemical laboratories as a solvent for extracting DNA, RNA, proteins and alkaloids and as a phase-modifier in liquid-liquid extractions; in biofuel technology as a fusel-oil component separated from fermented ethanol for blended fuels; and it also serves as an acylation agent and starting material for synthesizing isoamyl acetate, isoamyl nitrite, surfactants, lubricant additives, pesticides and pharmaceutical intermediates.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 488.48
    methanol 629.35
    isopropanol 270.25
    water 7.0
    ethyl acetate 84.27
    n-propanol 351.83
    acetone 96.31
    n-butanol 326.09
    acetonitrile 82.44
    DMF 64.44
    toluene 12.42
    isobutanol 223.59
    1,4-dioxane 199.56
    methyl acetate 77.87
    THF 363.69
    2-butanone 90.35
    n-pentanol 135.3
    sec-butanol 236.06
    n-hexane 33.37
    ethylene glycol 152.35
    NMP 180.02
    cyclohexane 39.94
    DMSO 161.31
    n-butyl acetate 192.3
    n-octanol 116.71
    chloroform 164.52
    n-propyl acetate 74.5
    acetic acid 571.05
    dichloromethane 97.74
    cyclohexanone 214.3
    propylene glycol 202.56
    isopropyl acetate 49.38
    DMAc 55.62
    2-ethoxyethanol 148.36
    isopentanol 188.77
    n-heptane 65.43
    ethyl formate 73.54
    1,2-dichloroethane 58.42
    n-hexanol 374.3
    2-methoxyethanol 311.16
    isobutyl acetate 50.75
    tetrachloromethane 57.75
    n-pentyl acetate 81.65
    transcutol 444.75
    n-heptanol 151.23
    ethylbenzene 9.8
    MIBK 44.55
    2-propoxyethanol 362.94
    tert-butanol 291.81
    MTBE 87.03
    2-butoxyethanol 200.98
    propionic acid 324.45
    o-xylene 13.46
    formic acid 226.87
    diethyl ether 79.0
    m-xylene 13.39
    p-xylene 15.67
    chlorobenzene 38.93
    dimethyl carbonate 14.58
    n-octane 14.76
    formamide 125.1
    cyclopentanone 216.71
    2-pentanone 70.66
    anisole 31.21
    cyclopentyl methyl ether 140.09
    gamma-butyrolactone 270.49
    1-methoxy-2-propanol 185.12
    pyridine 89.21
    3-pentanone 49.56
    furfural 188.97
    n-dodecane 10.2
    diethylene glycol 263.85
    diisopropyl ether 27.4
    tert-amyl alcohol 229.91
    acetylacetone 61.1
    n-hexadecane 10.5
    acetophenone 36.61
    methyl propionate 55.7
    isopentyl acetate 150.21
    trichloroethylene 128.3
    n-nonanol 98.55
    cyclohexanol 249.0
    benzyl alcohol 44.8
    2-ethylhexanol 211.84
    isooctanol 110.15
    dipropyl ether 136.98
    1,2-dichlorobenzene 43.93
    ethyl lactate 47.83
    propylene carbonate 146.18
    n-methylformamide 100.56
    2-pentanol 163.1
    n-pentane 29.56
    1-propoxy-2-propanol 311.94
    1-methoxy-2-propyl acetate 115.69
    2-(2-methoxypropoxy) propanol 133.45
    mesitylene 12.16
    ε-caprolactone 191.9
    p-cymene 31.98
    epichlorohydrin 160.93
    1,1,1-trichloroethane 77.96
    2-aminoethanol 288.19
    morpholine-4-carbaldehyde 169.43
    sulfolane 298.36
    2,2,4-trimethylpentane 17.57
    2-methyltetrahydrofuran 263.27
    n-hexyl acetate 122.47
    isooctane 13.99
    2-(2-butoxyethoxy)ethanol 208.59
    sec-butyl acetate 43.23
    tert-butyl acetate 67.66
    decalin 15.31
    glycerin 257.46
    diglyme 251.07
    acrylic acid 254.89
    isopropyl myristate 48.68
    n-butyric acid 350.69
    acetyl acetate 54.8
    di(2-ethylhexyl) phthalate 56.57
    ethyl propionate 48.38
    nitromethane 223.07
    1,2-diethoxyethane 109.07
    benzonitrile 56.72
    trioctyl phosphate 50.98
    1-bromopropane 49.99
    gamma-valerolactone 256.98
    n-decanol 72.99
    triethyl phosphate 44.85
    4-methyl-2-pentanol 78.12
    propionitrile 81.73
    vinylene carbonate 106.15
    1,1,2-trichlorotrifluoroethane 221.17
    DMS 52.02
    cumene 13.35
    2-octanol 83.2
    2-hexanone 69.02
    octyl acetate 67.32
    limonene 64.41
    1,2-dimethoxyethane 126.03
    ethyl orthosilicate 48.2
    tributyl phosphate 58.88
    diacetone alcohol 117.31
    N,N-dimethylaniline 22.61
    acrylonitrile 80.56
    aniline 50.91
    1,3-propanediol 351.43
    bromobenzene 27.08
    dibromomethane 78.04
    1,1,2,2-tetrachloroethane 130.91
    2-methyl-cyclohexyl acetate 101.33
    tetrabutyl urea 61.96
    diisobutyl methanol 94.43
    2-phenylethanol 91.43
    styrene 11.42
    dioctyl adipate 70.96
    dimethyl sulfate 26.72
    ethyl butyrate 108.18
    methyl lactate 53.89
    butyl lactate 102.48
    diethyl carbonate 55.5
    propanediol butyl ether 179.53
    triethyl orthoformate 83.96
    p-tert-butyltoluene 32.0
    methyl 4-tert-butylbenzoate 75.05
    morpholine 266.39
    tert-butylamine 183.15
    n-dodecanol 55.54
    dimethoxymethane 48.76
    ethylene carbonate 94.77
    cyrene 92.98
    2-ethoxyethyl acetate 82.76
    2-ethylhexyl acetate 115.1
    1,2,4-trichlorobenzene 55.06
    4-methylpyridine 60.18
    dibutyl ether 80.56
    2,6-dimethyl-4-heptanol 94.43
    DEF 68.52
    dimethyl isosorbide 187.41
    tetrachloroethylene 120.01
    eugenol 88.58
    triacetin 91.88
    span 80 189.02
    1,4-butanediol 103.78
    1,1-dichloroethane 57.69
    2-methyl-1-pentanol 100.07
    methyl formate 59.83
    2-methyl-1-butanol 196.18
    n-decane 16.74
    butyronitrile 99.88
    3,7-dimethyl-1-octanol 104.65
    1-chlorooctane 50.78
    1-chlorotetradecane 20.54
    n-nonane 17.17
    undecane 12.5
    tert-butylcyclohexane 19.05
    cyclooctane 12.6
    cyclopentanol 293.37
    tetrahydropyran 219.16
    tert-amyl methyl ether 73.47
    2,5,8-trioxanonane 186.42
    1-hexene 56.89
    2-isopropoxyethanol 97.22
    2,2,2-trifluoroethanol 145.86
    methyl butyrate 71.77

    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
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.02%
Eriocephalus punctualis Eriocephalus punctualis DC., fam. Eriocaulaceae 0.1%
Laurel leaf (USA) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.21%
Peppermint (Greece) 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.2%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (Bulgaria) 3a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Truffle, black (Perigord) Tuber melanosporum, fam. Ascomycetae 0.05%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.05%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Gingergrass (India) 5 Cymbopogon martini Stapf., var. sofia, fam. Poaceae (Gramineae) 0.08%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.05%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.3%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.5%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.08%
Asparagus officinalis (China) stem Asparagus officinalis L., fam. Liliaceae 1.18%
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 0.56%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 0.4%
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.2%
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.03%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.31%
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.1%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.02%
Mentha asiatica (Mongolia) Mentha asiatica Borriss, fam. Lamiaceae (Labiatae) 0.07%
Tamarind 3 fruit Tamarindus indica L., fam. Leguminosae 0.01%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.01%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.01%
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 5.0%
Kewda (India) Pandanus fascicularis Lam., var. fascilarris, fam. Pandanaceae 0.05%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.5%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 6.6%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 50.0%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.9%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.01%
Pepper, black (India) 6b free volatiles 8006-82-4 Piper nigrum L., fam. Piperaceae 0.1%
Gourd, ridge (Columbia) flower headspace 90063-68-6 Luffa acutangula, fam. Cucurbitaceae 0.05%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 54.5%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%
Mango (Cameroon) headspace of ripe fruit 90063-86-0 Mangifera indica L., fam. Anacardiaceae 0.01%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%