2-Hexenal

  • Identifiers

    CAS number
    6728-26-3

    Molecular formula
    C6H10O

    SMILES
    CCC/C=C/C=O
    O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 855.29
    • Carbowax: 1223.0

  • Odor profile

    green 92.66%
    fruity 90.25%
    fatty 76.95%
    pungent 69.74%
    fresh 66.86%
    aldehydic 62.98%
    vegetable 62.52%
    sweet 58.75%
    grassy 58.58%
    apple 57.37%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5 Well soluble in IAA, DEP, MMB

    Molecular weight
    98.14 g/mol

    Vapor pressure est.

    • 1.9229 hPa @ 20°C
    • 2.7072 hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling points

    • 47.00 °C. @ 17.00 mm Hg

    Solubilities

    • Soluble in propylene glycol and most fixed oils; Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • trans-2-Hexenal
    • 6728-26-3
    • 2-HEXENAL
    • (E)-Hex-2-enal
    • Leaf aldehyde
    • trans-2-Hexen-1-al
    • (E)-2-HEXENAL
    • 505-57-7
    • Hex-2-enal
    • beta-Propyl acrolein
NaN -Infinity

IFRA Standard - 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0014 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.016 %
Category 2
Products applied to the axillae
 0.00041 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.016 %
Category 3
Products applied to the face/body using fingertips
 0.0083 % Category 8
Products with significant anogenital exposure
 0.00067 %
Category 4
Products related to fine fragrance
 0.0077 % Category 9
Products with body and hand exposure, primarily rinse off
 0.015 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.002 % Category 10A
Household care products with mostly hand contact
 0.054 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.002 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.054 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.002 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.00067 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.00067 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.00067 %
Category 6
Products with oral and lip exposure
 0.0045 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Tea leaf Camellia sinensis Kuntze, fam. Theaceae 10.0%
Fern, sweet 1 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 19.5%
Fern, sweet 2 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 16.8%
Grapefruit (USA) 8016-20-4 Citrus paradisi Macfayden, fam. Rutaceae 0.01%
Hemizygia welwitschii Hemizygia welwitschii (Rolfe) M.Ashby (Orthosiphon welwitschii) 0.1%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 3.7%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.9%
Marjoram, sweet (Egypt) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.3%
Marjoram, sweet (France) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.1%
Marjoram, sweet (Germany) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.3%
Marjoram, sweet (Hungary) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.3%
Marjoram, sweet (Portugal) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.05%
Marjoram, sweet (Rumania) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.3%
Marjoram, sweet (Tunisia) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.7%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Orange, sweet (USA-California) 2 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Navel, fam. Rutaceae 0.01%
Oregano, greek (European) 84012-24-8 Origanum vulgare L. ssp. vulgare, fam. Lamiaceae (Labiatae) 6.6%
Peppermint (Greece) 1 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.6%
Peppermint (Greece) 2 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.3%
Gaura drummondii flower Gaura drummondii L., fam. Oenotheraceae 0.8%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.77%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.45%
Parsley leaf (Korea) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (C. sativum Hoffm.), fam. Apiaceae 2.08%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 2.45%
Osmanthus headspace (picked flowers) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 1.1%
Cedarleaf 5 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.09%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 2.5%
Clary sage (U.S.A.) 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage (France) 2 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Clary sage (Russia) 1 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Strawberry leaf 1 90131-36-5 Fragaria x ananassa Duch., cultivar Bounty, fam. Rosaceae 2.44%
Strawberry leaf 2 90131-36-5 Fragaria x ananassa Duch., cultivar Honeoye, fam. Rosaceae 2.31%
Strawberry leaf 3 90131-36-5 Fragaria x ananassa Duch., cultivar Kent, fam. Rosaceae 1.47%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 1.48%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.2%
Mandarin leaf (Petitgrain mandarin.) (Japan) Citrus reticulata Blanco (C. deliciosa Tenore), fam. Rutaceae 0.05%
Origanum solymicum (Turkey) Origanum solymicum P.H. Davis, fam. Lamiaceae (Labiatae) 0.03%
Pelargonium citronellum Pelargonium citronellum J.J.A. v.d. Walt, fam. Geraniaceae 0.05%
Origanum syriacum (Turkey) 2 Origanum syriacum L. var. bevanii (Holmes) Ietswaart, fam. Lamiaceae 0.04%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.1%
Bitter orange leaf (Petitgrain) (Japan) 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.3%
Lemon leaf (petitgrain) (Russia) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.45%
Lime (Japan) leaf 90063-52-8 Citrus aurantifolia (Christm.) Swingle, fam. Rutaceae 0.05%
Grapefruit leaf (Japan) 90045-43-5 Citrus paradisi Macfayden, fam. Rutaceae 0.3%
Artemisia argentea (Madeira) Artemisia argentea L'Her., fam. Asteraceae (Compositae) 0.4%
Heteromorpha trifoliata Heteromorpha trifoliata (Wendl.) Eckl. & Zey., fam.Apiaceae (Umbelliferae) 0.05%
Orange leaf, sweet (Japan) Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.05%
Meyer lemon leaf (Russia) 1 Citrus limon x Citrus sinensis, fam. Rutaceae 1.99%
Meyer lemon leaf (Russia) 2 Citrus limon x Citrus sinensis, fam. Rutaceae 0.09%
Hyptis suaveolens Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 0.61%