• Identifiers

    CAS number
    556-82-1

    Molecular formula
    C5H10O

    SMILES
    CC(=CCO)C
    HO

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 778.5
    • Carbowax: 1326.75
  • Odor profile

    fruity 89.46%
    green 80.53%
    sweet 71.91%
    fermented 55.34%
    ethereal 53.77%
    alcoholic 52.55%
    herbal 50.29%
    pungent 45.53%
    winey 44.19%
    musty 41.65%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0 Well soluble in MMB, TEC, IAA

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • 1.6185 hPa @ 20°C
    • 2.4438 hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -59.3 °C

    Boiling point

    • 138.00 to 174.00 °C. @ 760.00 mm Hg
    • 140 °C

    Flash point expt.

    • 50 °C c.c.

    Solubility expt.

    • Solubility in water, g/100ml at 20 °C: 17 (good)
    • Insoluble in water; soluble in fats
    • soluble (in ethanol)

  • Synonyms

    • 3-METHYL-2-BUTEN-1-OL
    • Prenol
    • 556-82-1
    • 3-Methylbut-2-en-1-ol
    • 3,3-Dimethylallyl alcohol
    • 2-Buten-1-ol, 3-methyl-
    • Prenyl alcohol
    • 3-Methyl-2-butenol
    • Dimethylallyl alcohol
    • 3-Methylcrotyl alcohol
NaN of -Infinity
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
Name CAS Botanical Proportion
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.13%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.02%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.01%
Agathosma rosmarinifolia Agathosma rosmarinifolia (Bartl.) Williams, fam. Diosmea (Rutaceae) 3.1%
Phyllosma capensis Phyllosma capensis Bolus, fam. Diosmeae 2.1%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.36%
Narcissus (Japan) 1b 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amaryllidaceae 0.56%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.01%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.05%
Jonquil (France) flower headspace 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.5%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 0.1%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.3%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.1%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 3.8%
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 (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%