o-Cymene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    527-84-4

    Molecular formula
    C10H14

    SMILES
    CC1=CC=CC=C1C(C)C

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1021.33
    • Carbowax: 1260.0

  • Odor profile

    spicy 65.28%
    herbal 63.64%
    woody 58.22%
    citrus 48.92%
    terpenic 43.17%
    fresh 42.18%
    green 39.26%
    phenolic 36.94%
    earthy 36.87%
    lemon 32.2%

    Scent© AI

  • Properties

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

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • 1.1516 hPa @ 20°C
    • 1.6389 hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -71.5 °C
    • MP: also reported as -75.24 °C and -81.53 °C for two unstable solid forms
    • -71.54 °C

    Boiling point

    • 178 °C
    • 177.00 to 179.00 °C. @ 760.00 mm Hg

    Solubility expt.

    • In water, 23.3 mg/L at 25 °C
    • Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride
    • 0.0233 mg/mL at 25 °C

  • Synonyms

    • O-CYMENE
    • 2-Isopropyltoluene
    • 527-84-4
    • o-Cymol
    • 1-Isopropyl-2-methylbenzene
    • o-Isopropyltoluene
    • CYMENE, ORTHO
    • 1-methyl-2-propan-2-ylbenzene
    • 1-Methyl-2-isopropylbenzene
    • 1-Methyl-2-(1-methylethyl)benzene
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
Achillea collina Achillea collina Becker, fam. Asteraceae (Compositae) 2.2%
Olibanum, Frankincense (Aden) 8016-36-2 Boswellia carterii Birdwood, fam. Burseraceae 0.5%
Orange leaf, sweet (North Africa) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.09%
Pinus pinaster (France) 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%
Pinus strobus 1 Pinus strobus L. (White Pine), fam. Pinaceae 0.05%
Cypress cones (Egypt) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.1%
Lepechinia urbanii Lepechinia urbanii (Briq.) Epling, fam. Lamiaceae (Labiatae) 0.34%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Cistus (Spain) 2 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.01%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Persea podadenia leaf Persea podadenia Blake, subgenus Eriodaphne, fam. Lauraceae 0.46%
Bitter orange leaf (Petitgrain) (Italy) 1 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.01%
Mandarin leaf (Petitgrain mandarin.) (Italy) Citrus reticulata Blanco (C. deliciosa Tenore), fam. Rutaceae 0.01%
Lemon leaf (petitgrain) (Italy) 4 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Orange leaf, sweet (Italy) 1 Citrus sinensis (L.) Osbeck, fam. Rutaceae 0.04%
Orange leaf, sweet (Italy) 2a Valencia Late Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.03%
Orange leaf, sweet (Italy) 2b Biondo Comune Citrus sinensis (L.) Osbeck, cultivar Biondo Comune, fam. Rutaceae 0.06%
Orange leaf, sweet (Italy) 2c Moro Citrus sinensis (L.) Osbeck, cultivar Moro, fam. Rutaceae 0.08%
Lavender (Italy) 1a 8000-28-0 Lavandula angustifolia Mill. (L. officnalis Chaix), fam. Lamiaceae 0.14%
Lavender (Italy) 1b 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.3%
Pinus sibirica (Mongolia) 1b Pinus sibirica (Rupr.) Mayr (Siberian pine), fam. Pinaceae 0.1%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Turmeric (China) 3 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.01%
Tagetes (Argentina) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.3%
Eucalyptus globulus (Italy) 1a hydrodistiled 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Eucalyptus globulus (Italy) 1b CO2-extract 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Santolina insularis (Italy) 1a CO2-extract Santolina insularis L., fam. Asteraceae (Compositae) 0.5%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 1.1%
Eupatorium cannabinum Eupatorium cannabinum L. ssp. cannabinum, fam. Astercaceae (Compositae) 0.1%
Orange leaf, sweet (Italy) 3 Valencia late Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.05%
Lemon leaf (petitgrain) (Italy) 5 Femminello 84929-31-7 Citrus limon (L.) Burm. f., cultivar Femminello, fam. Rutaceae 0.01%
Citrus cybrid leaf (Italy) Citrus sinensis (L.) Osbeck x C. limon (L.) Burm. f., fam. Rutaceae 0.05%
Sideritis raeseri (Greece) Sideritis raeseri Boiss.et Heldr.ssp.attica (Heldr.) Pap.et Kok, Lamiaceae 0.01%
Espeletia weddellii leaf Espeletia weddellii Sch. Bip. ex Wedd., fam. Asteraceae (Compositae) 0.2%
Satureja boliviana (Argentina) Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 1.4%
Micromeria graeca (Greece) Micromeria graeca (L.) Bentham et Reichenb., fam. Lamiaceae (Labiatae) 0.02%
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 (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.11%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.03%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.03%