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Trimethylhydroquinone | 700-13-0

Product name:Trimethylhydroquinone

CAS No:700-13-0
MF:C9H12O2
MW:152.1904
MDL:MFCD00002346
CID:39628
PubChem ID:24900467
Introduction
Trimethylhydroquinone (2,3,5-trimethyl-p-phenylenedione, tmhq) is a white or quasi white crystal. It is an important intermediate for industrial synthesis of vitamin E. it can condense with isophytol to produce vitamin E< Br>
Names and Identifiers
  • Trimethylhydroquinone
  • 3,6-DIHYDROXYPSEUDOCUMENE
  • 2,3,5-TRIMETHYLHYDROQUINONE
  • 1,4-DIHYDROXY-2,3,5-TRIMETHYLBENZENE
  • 1,4-Benzenediol, 2,3,5-trimethyl-
  • 2,3,5-Trimethyl-1,4-benzenediol
  • 2,3,5-trimethyl-4-benzenediol
  • 2,3,5-Trimethylquinol
  • 2,3,5-Trimethylbenzene-1,4-diol
  • Pseudocumohydroquinone
  • psi-Cumohydroquinone
  • 2,3,6-Trimethylhydroquinone
  • 2,3,5-Trimethyl-benzene-1,4-diol
  • HYDROQUINONE, TRIMETHYL-
  • .psi.-Cumohydroquinone
  • Trimethylhydroquinone, 97%
  • GSY6340N4A
  • AUFZRCJENRSRLY-UHFFFAOYSA-N
  • trimethyihydroquinone
  • trimethyl-hyd
  • 2,3,5-Trimethylhydroquinone
  • TMHYDROP
  • 2,5-Trimethylhydroquinone
  • NSC-401617
  • Trimethyl hydroquinone
  • NSC401617
  • FT-0609459
  • InChI=1/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H
  • AS-12795
  • 2,5-Trimethyl-1,4-benzenediol
  • AB00694314-03
  • NCGC00262952-01
  • T0477
  • CAS-700-13-0
  • NS00009435
  • trimethyl-hydroquinone
  • 1, 2,3,5-trimethyl-
  • CHEBI:176794
  • DTXCID9031018
  • AC-17918
  • Q27279264
  • Tox21_113944
  • 2,6-Trimethylhydroquinone
  • AKOS000493632
  • 700-13-0
  • HY-W017378
  • F3145-3277
  • CHEMBL3182864
  • UNII-GSY6340N4A
  • DTXSID7052446
  • SR-01000944714-1
  • EC 211-838-3
  • EN300-67505
  • SR-01000944714
  • W-104575
  • SCHEMBL70458
  • AI3-61040
  • NSC 401617
  • MFCD00002346
  • NCGC00262952-02
  • 2,3,5-trimethyl hydroquinone
  • F71219
  • 2,5,6-trimethylhydroquinone
  • 2,3,5-trimethylbenzene-1,4-diol
  • EINECS 211-838-3
  • CS-W018094
  • 1,4-Dihydroxy-2,3,5-trimethylbenzene
  • Trimethylhydroquinone,98%
  • MDL:MFCD00002346
  • InChIKey:AUFZRCJENRSRLY-UHFFFAOYSA-N
  • Inchi:1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3
  • SMILES:O([H])C1C(C([H])([H])[H])=C([H])C(=C(C([H])([H])[H])C=1C([H])([H])[H])O[H]
  • BRN:1909183
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 152.08400
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 152.08373
  • Heavy Atom Count: 11
  • Complexity: 136
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 1.7
  • Tautomer Count: 25
  • Surface Charge: 0
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • LogP: 2.02300
  • PSA: 40.46000
  • Refractive Index: 1.4464 (estimate)
  • Water Partition Coefficient: 2 g/L (20 ºC)
  • Boiling Point: 295 ºC (759.8513 mmHg)
  • Melting Point: 168.0 to 174.0 deg-C
  • Flash Point: Fahrenheit: 375.8 ° f < br / > Celsius: 191 ° C < br / >
  • Solubility: methanol: 0.1 g/mL, clear
  • Color/Form: White needle like crystals.
  • Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents.
  • Solubility: Soluble in polar solvents such as ethanol and acetone, slightly soluble in cold water, petroleum ether, benzene and other solvents, soluble in hot water, easy to oxidize and change color when heated or exposed to air.
  • Density: 0.9595 (rough estimate)
Security Information
  • Symbol: GHS05 GHS07 GHS09
  • RTECS:MX7820000
  • WGK Germany:2
  • Safety Term:S24;S26;S37/39;S60;S61
  • Safety Instruction:S24-S26-S37/39-S60-S61
  • Risk Phrases:R20; R37/38; R41; R43; R50/53
  • Znak za nevarno blago: Xn Xn N N
  • Hazardous Material transportation number:UN 3077 9/PG 3
  • Hazard Statement:H315,H317,H318,H332,H335,H410
  • Warning Statement:P261,P273,P280,P501
  • Prompt:dangerous
  • Storage Condition:Store at room temperature
  • PackingGroup:III
  • Hazard Category Code:20-37/38-41-43-50/53
  • Signal Word:Danger
  • TSCA:Yes
  • HazardClass:9
  • FLUKA BRAND F CODES:9-23
Customs Data
  • HS CODE:2907299090
  • Customs Data:

    China Customs Code:

    2907299090

    Overview:

    2907299090 Other polyphenols,Phenolic alcohol.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2907299090 polyphenols; phenol-alcohols.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

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