1-Octen-3-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    4312-99-6

    Molecular formula
    C8H14O

    SMILES
    CCCCCC(=O)C=C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 977.0
    • Carbowax: 1300.67

  • Odor profile

    earthy 60.0%
    metallic 58.13%
    mushroom 56.67%
    herbal 49.87%
    green 46.31%
    vegetable 42.37%
    cheesy 42.3%
    pungent 40.62%
    musty 35.44%
    fishy 32.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4 Well soluble in DEP, IAA, BB

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 59.00 to 60.00 °C. @ 16.00 mm Hg

    Solubility expt.

    • insoluble in water; miscible in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 1-OCTEN-3-ONE
    • Oct-1-en-3-one
    • 4312-99-6
    • Vinyl amyl ketone
    • Amyl vinyl ketone
    • Pentyl vinyl ketone
    • FEMA No. 3515
    • 1-octene-3-one
    • n-Amyl vinyl ketone
    • UNII-7LT7Z4Q9XR
    • EINECS 224-327-5
    • 7LT7Z4Q9XR
    • n-pentyl vinyl ketone
    • DTXSID5047162
    • Octen-3-one, 1
    • AI3-37821
    • DTXCID3027162
    • CHEBI:88900
    • FEMA 3515
    • 1-OCTEN-3-ONE [FHFI]
    • Oct1en3one
    • Amyl Vinyl Ketone; Pentyl Vinyl Ketone; Vinyl Amyl Ketone; n-Amyl Vinyl Ketone
    • MFCD00036558
    • SCHEMBL84084
    • 1-Octen-3-one, 96%
    • SCHEMBL6081600
    • CHEMBL3186486
    • 1-Octen-3-one, analytical standard
    • Tox21_302710
    • BBL103313
    • LMFA12000011
    • STL557123
    • AKOS007930624
    • DS-8605
    • NCGC00256809-01
    • CAS-4312-99-6
    • DB-003194
    • NS00047965
    • O0382
    • D71008
    • Q5074300
    • 1-Octen-3-one, 50 wt. % in 1-octen-3-ol, stabilized, FG
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
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.1%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.8%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.2%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.2%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.01%
Ribes sanguineum flower headspace Ribes sanguineum L., fam. Grossulariaceae 0.01%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.01%
Mango (India) 1b cv. Bombay 90063-86-8 Mangifera indica L. cv. Bombay, fam. Anacardiaceae 0.7%
Coriander fruit 5 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Parsley leaf (Germany) 2a 8000-68-8 Petroselinum crispun (Miller) A.W. Hill cv Hamburger Schnitt,fam. Apiaceae 0.01%
Parsley leaf (Germany) 2b 800-68-8 Petroselinum crispun (Miller) A.W. Hill cv Mooskrause, fam. Apiaceae 0.01%
Rosemary (Italy) 11 Sardinia 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%