1,2,4-Trimethylbenzene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    95-63-6

    Molecular formula
    C9H12

    SMILES
    CC1=CC(=C(C=C1)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1023.0
    • Carbowax: 1281.0

  • Odor profile

    woody 48.09%
    phenolic 39.02%
    leathery 35.63%
    earthy 34.91%
    spicy 34.72%
    green 34.1%
    herbal 32.55%
    animal 30.84%
    musty 29.51%
    tobacco 28.89%

    Scent© AI

  • Properties

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

    Molecular weight
    120.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -47.2 °F (USCG, 1999)
    • -43.77 °C
    • Heat of fusion at melting point= 1.3192X10+7 J/kmol; Liquid Molar Volume= 0.137779 cu m/kmol.
    • -25.4 °C
    • -43.8 °C
    • -25 °C
    • -44 °C
    • -14 °F
    • -77 °F

    Boiling point

    • 334.4 °F at 760 mmHg (USCG, 1999)
    • 168.89 °C
    • 176.12 °C
    • 176 °C
    • 169 °C
    • 349 °F
    • 337 °F

    Flash point expt.

    • 111 °F (USCG, 1999)
    • 44 °C
    • 112 °F (44 °C) (Closed cup)
    • 111 °F (44 °C) (Closed cup)
    • 44 °C c.c.
    • 112 °F

    Solubility expt.

    • 0.006 % (NIOSH, 2024)
    • Miscible with ethanol, benzene, ethyl ether, acetone, carbon tetrachloride, petroleum ether
    • In water, 57 mg/L at 25 °C
    • Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetrachloride
    • In water, 75.2 mg/L at 25 °C
    • 0.057 mg/mL at 25 °C
    • Solubility in water, g/100ml: 0.005
    • Solubility in water: very poor
    • Low
    • 0.006%

  • Synonyms

    • 1,2,4-TRIMETHYLBENZENE
    • Pseudocumene
    • 95-63-6
    • Pseudocumol
    • Psi-cumene
    • as-Trimethylbenzene
    • Benzene, 1,2,4-trimethyl-
    • 1,3,4-Trimethylbenzene
    • Uns-trimethylbenzene
    • 1,2,5-Trimethylbenzene
    • Asymmetrical trimethylbenzene
    • pseudo-cumene
    • .psi.-Cumene
    • 1,2,4-trimethyl-benzene
    • 1,2,4-Trimethyl benzene
    • Benzene, 1,2,5-trimethyl-
    • NSC 65600
    • HSDB 5293
    • EINECS 202-436-9
    • CCRIS 8146
    • DTXSID6021402
    • PSUEDO-CUMENE
    • UNII-34X0W8052F
    • CHEBI:34039
    • AI3-03976
    • NSC-65600
    • PSEUDOCUMENE [MI]
    • 1,2, 4-Trimethylbenzene
    • 1,2,5-trimethyl-benzene
    • DTXCID701402
    • 1.2.4-TRIMETHYLBENZENE
    • EC 202-436-9
    • TRIMETHYLBENZENE, 1,2,4-
    • 34X0W8052F
    • 1,2,4-Trimethylbenzene (pseudocumene)
    • 1,2,4-TRIMETHYLBENZENE [HSDB]
    • CAS-95-63-6
    • 1,2,4-Trimethylbenzene, analytical standard
    • Assymetrical trimethylbenzene
    • pseudo cumene
    • asTrimethylbenzene
    • Unstrimethylbenzene
    • PSICUMENE
    • laquo Psiraquo-Cumene
    • 1,4-Trimethylbenzene
    • laquo Psiraquo -Cumene
    • METHYL-P-XYLENE
    • 1,2,5Trimethylbenzene
    • 1,3,4Trimethylbenzene
    • Benzene,2,4-trimethyl-
    • Benzene, 1,2,4trimethyl
    • Benzene, 1,2,5trimethyl
    • BIDD:ER0682
    • CHEMBL1797280
    • WLN: 1R B1 D1
    • 1,2,4-Trimethylbenzene, 98%
    • 21 - VOCs (Perkin Elmer tubes)
    • BENZENE,1,2,4-TRIMETHYL-
    • NSC65600
    • Tox21_200518
    • Tox21_300049
    • MFCD00008527
    • STL268868
    • 06C - Benzene, Toluene and Xylenes
    • AKOS000120059
    • NCGC00247891-01
    • NCGC00247891-02
    • NCGC00254118-01
    • NCGC00258072-01
    • PS-11947
    • 1,2,4-Trimethylbenzene (ACD/Name 4.0)
    • NS00006467
    • S0662
    • T0469
    • EN300-20076
    • G92359
    • A937622
    • Q376994
    • 1,2,4-Trimethylbenzene 100 microg/mL in Methanol
    • F0001-2275
    • Z104476700
    • 1,2,4-Trimethylbenzene, certified reference material, TraceCERT(R)
    • 95-36-3
    • XBZ
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
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.68%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.25%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.46%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.1%
Indian curry leaf tree (leaf) Murraya koenigii Spreng., fam. Rutaceae 0.01%
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.06%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 0.45%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.9%