Cas no 88-18-6 (2-tert-Butylphenol)

2-tert-Butylphenol structure
2-tert-Butylphenol structure
Product Name:2-tert-Butylphenol
CAS No:88-18-6
MF:C10H14O
MW:150.217563152313
MDL:MFCD00002223
CID:34457
PubChem ID:6923
Update Time:2025-09-24

2-tert-Butylphenol Chemical and Physical Properties

Names and Identifiers

    • 2-tert-Butyl-1-hydroxybenzene
    • Butylphenol
    • O-TERT-BUTYL-PHENOL
    • 2-tert-Butylphenol
    • 2-tert-Butylphenolneat
    • 2-t-BuC6H4OH
    • 2-t-Butylphenol
    • 2-tert-Butyl phen01
    • o-reft-Butyl phenol
    • ortho-tert-butylphenol
    • OTBP
    • O-T-BUTYLPHENOL
    • o-tert-butyl-pheno
    • o-tert-butylphenol
    • Phenol,o-tert-butyl- (8CI)
    • 2-(1,1-Dimethylethyl)phenol
    • 2-(1,1-Dimethylethyl)phenol (ACI)
    • Phenol, o-tert-butyl- (8CI)
    • MDL: MFCD00002223
    • Inchi: 1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
    • InChI Key: WJQOZHYUIDYNHM-UHFFFAOYSA-N
    • SMILES: OC1C(C(C)(C)C)=CC=CC=1
    • BRN: 1907120

Computed Properties

  • Exact Mass: 150.10400
  • Monoisotopic Mass: 150.104465
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Colorless or yellowish liquid
  • Density: 0.978?g/mL?at 25?°C(lit.)
  • Melting Point: ?7?°C (lit.)
  • Boiling Point: 221°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.523(lit.)
  • Solubility: 0.97g/l soluble
  • Water Partition Coefficient: 0.23 g/100 mL (20 oC)
  • PSA: 20.23000
  • LogP: 2.68970
  • Vapor Pressure: 0.05 mmHg ( 20 °C)
  • pka: 10.62(at 25℃)
  • Solubility: Soluble in ethanol and diethyl ether.

2-tert-Butylphenol Security Information

  • Symbol: GHS05 GHS06 GHS09
  • Prompt:dangerous
  • Signal Word:Danger
  • Hazard Statement: H302,H311,H314,H330,H400
  • Warning Statement: P260,P273,P280,P284,P305+P351+P338,P310
  • Hazardous Material transportation number:UN 2922 8/PG 2
  • WGK Germany:2
  • Hazard Category Code: 21/22-23-34
  • Safety Instruction: S26-S36/37/39-S45-S61
  • RTECS:SJ8921000
  • Hazardous Material Identification: T N
  • HazardClass:8
  • TSCA:Yes
  • Storage Condition:Store in a cool, dry place. Keep the container closed and away from corrosive substances when not in use.
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R22; R23; R34; R51/53

2-tert-Butylphenol Customs Data

  • HS CODE:29071900
  • Customs Data:

    China Customs Code:

    2907199090

    Overview:

    2907199090 Other monophenols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-tert-Butylphenol Pricemore >>

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2-tert-Butylphenol Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Chloroform
Reference
Photochemistry of 3-Substituted Bicyclo[3.1.0]hex-3-en-2-ones. Regioselective Synthesis of Ortho-Substituted Phenols by Pauson-Khand Reaction
Marchueta, Iolanda; et al, Organic Letters, 2001, 3(20), 3197-3200

Production Method 2

Reaction Conditions
Reference
Product class: monohydric phenol, and corresponding phenolates - synthesis by rearrangement
Gonzalez-Bello, C.; et al, Science of Synthesis, 2007, 31, 319-330

Production Method 3

Reaction Conditions
Reference
Product class 1: monohydric phenols and corresponding phenolates - synthesis from nonaromatic precursors
Thomas, A. W., Science of Synthesis, 2007, 31, 337-401

Production Method 4

Reaction Conditions
1.1 Reagents: Diphenylphosphine ,  Potassium tert-butoxide Solvents: Dimethylformamide ;  10 min, rt
1.2 12 h, 80 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1 - 2
Reference
A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2 and tBuOK
Pan, Wenjing; et al, Organic & Biomolecular Chemistry, 2021, 19(35), 7633-7640

Production Method 5

Reaction Conditions
1.1 Solvents: Diethyl ether
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
A Mild Anionic Method for Generating o-Quinone Methides: Facile Preparations of Ortho-Functionalized Phenols
Jones, Ryan M.; et al, Journal of Organic Chemistry, 2001, 66(10), 3435-3441

Production Method 6

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide
Reference
Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity
Qu, Fengrui; et al, Chemical Communications (Cambridge, 2014, 50(23), 3036-3039

Production Method 7

Reaction Conditions
Reference
Oxygen atoms by microwave discharge: reaction with arenes
Zadok, Elazar; et al, Angewandte Chemie, 1980, 92(12), 1037-8

Production Method 8

Reaction Conditions
1.1 Reagents: Boron trifluoride ,  Hydrofluoric acid ,  Hydrogen peroxide
Reference
Oxyfunctionalization of hydrocarbons. 11. Hydroxylation of benzene and alkylbenzenes with hydrogen peroxide in hydrogen fluoride/boron trifluoride
Olah, George A.; et al, Journal of Organic Chemistry, 1981, 46(21), 4305-6

Production Method 9

Reaction Conditions
1.1 Reagents: Phenol Solvents: Chloroform
Reference
Acidity effect in the regiochemical control of the alkylation of phenol with alkenes
Sartori, Giovanni; et al, Journal of the Chemical Society, 1997, (3), 257-260

Production Method 10

Reaction Conditions
Reference
Catalysis by 12-heteropolymolybdic acid. II. Friedel-Crafts-type reaction of aromatic compounds
Nomiya, Kenji; et al, Bulletin of the Chemical Society of Japan, 1980, 53(7), 2089-90

Production Method 11

Reaction Conditions
Reference
Alkylation of phenols by aluminum alkoxides
Iyer, Padmini; et al, Indian Journal of Chemistry, 1978, (4), 321-2

Production Method 12

Reaction Conditions
1.1 Catalysts: 1-Butyl-3-methylimidazolium tosylate ;  3 h, 80 °C
Reference
Application of ionic liquids as recyclable green catalysts for selective alkylation of phenol
Amirfirouzkouhi, Hamideh; et al, Separation and Purification Technology, 2018, 196, 132-139

Production Method 13

Reaction Conditions
Reference
Alkylation of phenol with α-methylstyrene, propylene, butenes, isoamylene, 1-octene, and diisobutylene: heterogeneous vs. homogeneous catalysts
Chaudhuri, Basab; et al, Industrial & Engineering Chemistry Research, 1991, 30(1), 227-31

Production Method 14

Reaction Conditions
1.1 Solvents: Ethanol ,  Water
Reference
o-tert-Butylphenol
Hart, Harold, Journal of the American Chemical Society, 1949, 71, 1966-7

Production Method 15

Reaction Conditions
1.1 Reagents: Diphenylphosphine ,  Potassium tert-butoxide Solvents: Dimethylformamide ;  10 min, rt
1.2 12 h, 80 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1 - 2
Reference
A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2 and tBuOK
Pan, Wenjing; et al, Organic & Biomolecular Chemistry, 2021, 19(35), 7633-7640

Production Method 16

Reaction Conditions
1.1 Catalysts: Phosphoric acid Solvents: Toluene ;  rt → 100 °C; 50 - 60 min, 95 - 100 °C; 100 °C → 125 °C; 3.5 h, 120 - 125 °C; 125 °C → 100 °C; 30 min, 100 °C
Reference
Improvement of synthesis process of TBHO
Xiong, De-qin; et al, Huaxue Yu Nianhe, 2007, 29(6), 442-444

Production Method 17

Reaction Conditions
1.1 Reagents: Diphenylphosphine ,  Potassium tert-butoxide Solvents: Dimethylformamide ;  10 min, rt
1.2 12 h, 70 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ;  pH 1 - 2
Reference
A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2 and tBuOK
Pan, Wenjing; et al, Organic & Biomolecular Chemistry, 2021, 19(35), 7633-7640

Production Method 18

Reaction Conditions
Reference
Thermal de-tert-butylation of 2,6-di-tert-butylphenol and its derivatives
Kun, O. B.; et al, Zhurnal Organicheskoi Khimii, 1984, 20(12), 2608-11

Production Method 19

Reaction Conditions
Reference
Reaction of triphenylphosphine dibromide with o-tert-butylphenols
Lee, Donald G., Chemical Communications (London), 1968, (23), 1554-5

Production Method 20

Reaction Conditions
1.1 Reagents: Phenol, gallium salt (3:1)
Reference
Phenoxide compounds. III. tert-Butylation of phenols in the presence of phenoxides
Berny, Marie F., Bulletin de la Societe Chimique de France, 1969, (3), 973-6

Production Method 21

Reaction Conditions
1.1 Solvents: Diethyl ether ,  Tetrahydrofuran
1.2 Reagents: Water
1.3 Reagents: Trimethylamine oxide Solvents: Acetonitrile
1.4 Reagents: Hydrochloric acid Solvents: Diethyl ether ,  Water
Reference
Studies on the Chemistry of Manganese Tricarbonyl Cations of Phenol and Cresols
Seo, Hwimin; et al, Organometallics, 2002, 21(16), 3417-3425

Production Method 22

Reaction Conditions
Reference
Studies on selective preparation of aromatic compounds. XII. The selective reductive dehalogenation of some halophenols with zinc powder in basic and acidic media
Tashiro, Masashi; et al, Journal of Organic Chemistry, 1977, 42(5), 835-8

Production Method 23

Reaction Conditions
1.1 Reagents: Alumina ,  Silica Solvents: Dichloromethane
Reference
Silica gel as an effective catalyst for the alkylation of phenols and some heterocyclic aromatic compounds
Kamitori, Yasuhiro; et al, Journal of Organic Chemistry, 1984, 49(22), 4161-5

2-tert-Butylphenol Raw materials

2-tert-Butylphenol Preparation Products

2-tert-Butylphenol Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:88-18-6)2-tert.-Butylphenol
Order Number:LE15693;LE1691339;LE5073
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:13
Price ($):discuss personally
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:88-18-6)2-tert.-Butylphenol
LE15693;LE1691339;LE5073
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
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