2-Heptanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    110-43-0

    Molecular formula
    C7H14O

    SMILES
    CCCCCC(=O)C
    O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 892.33
    • Carbowax: 1172.71

  • Odor profile

    fruity 90.47%
    herbal 77.55%
    green 75.65%
    ketonic 73.33%
    cheesy 71.45%
    sweet 71.12%
    fatty 58.53%
    earthy 56.15%
    spicy 54.82%
    woody 51.17%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.18 [mmHg]. Odor Threshold High: 0.19 [mmHg]. Odor threshold from AIHA
    • About 0.020 ppm
    • Detection: 0.14 mg/kg; recognition: 3.0 mg/kg
    • 0.15 to 0.35 ppm

  • Properties

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

    Molecular weight
    114.19 g/mol

    Vapor pressure est.

    • 3.9649 hPa @ 20°C
    • 5.4806 hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -31 °F (USCG, 1999)
    • -35.5 °C
    • -35 °C
    • -32 °F

    Boiling point

    • 300 °F at 760 mmHg (USCG, 1999)
    • 151.5 °C at 760 mm Hg; 111 °C at 21 mm Hg
    • 149.00 to 150.00 °C. @ 760.00 mm Hg
    • 151 °C
    • 305 °F

    Flash point expt.

    • 102 °F (USCG, 1999)
    • 39 °C
    • 102 °F (39 °C) (Closed cup)
    • 117 °F (Open cup)
    • 102 °F

    Solubility expt.

    • 0.4 % (NIOSH, 2024)
    • Soluble in alcohol and ether
    • 0.43% (by wt) in water
    • Miscible with organic solvents
    • In water, 4.28X10+3 mg/L at 25 °C
    • 4.3 mg/mL at 25 °C
    • Solubility in water: poor
    • miscible with alcohol and ether; 1 ml in 250 ml water
    • 0.4%

  • Synonyms

    • 2-HEPTANONE
    • Heptan-2-one
    • 110-43-0
    • Methyl pentyl ketone
    • Butylacetone
    • Amyl methyl ketone
    • Methyl amyl ketone
    • Methyl n-amyl ketone
    • n-Amyl methyl ketone
    • n-Pentyl methyl ketone
NaN -Infinity

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
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.04%
Ginger (India) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Ginger (Vietnam) 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.05%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.01%
Ginger (China) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Ginger (China) 4 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.01%
Scleria striatinux rhizome (Cameroon) Scleria striatinux De Wild., fam. Cyperaceae 0.3%
Ambarella fruit Spondias cytherea Sonnerat (Ambarella), fam. Anacardiaceae 0.04%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.03%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.07%
Boldo leaf (Italy) Boldea fragrans Juss. (Peumus boldus Mol.) 0.06%
Boldo leaf (Chile) Boldea fragrans Juss. (Peumus boldus Mol.) 0.03%
Fenugreek 1b steamdistillate 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Rue (China) 2 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.01%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Mullilam seed (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 4.8%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 1.9%
Turmeric (India) 5a rhizome 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.05%
Geranium (India) 14a 8000-46-2 Pelargonium species, cultivar Bourbon, fam. Geraniaceae 0.05%
Cinnamon leaf (India) 4 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.02%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Annual wormwood (India) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%
Ambarella fruit (Brazil) Spondias cytherea Sonnerat, fam. Anarcardiaceae 0.05%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.04%