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1818-08-2

p-(1-methylheptyl)phenol, also known as 4-(1-methylheptyl)phenol, is an organic compound with the chemical formula C14H22O. It is a derivative of phenol, where a 1-methylheptyl group (a seven-carbon alkyl chain with a methyl branch) is attached to the para position (the fourth carbon) of the phenol ring. p-(1-methylheptyl)phenol is characterized by its aromatic structure and a long alkyl chain, which can influence its physical properties such as solubility and boiling point. It is a colorless to pale yellow liquid with a distinct odor and is used in various industrial applications, including as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. Due to its specific structure, p-(1-methylheptyl)phenol may exhibit unique chemical reactivity and physical properties compared to simpler phenolic compounds.

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  • 1818-08-2 Structure

  • Basic information

    1. Product Name: p-(1-methylheptyl)phenol
    2. Synonyms: p-(1-methylheptyl)phenol;4-(1-Methylheptyl)phenol;Einecs 217-332-9
    3. CAS NO:1818-08-2
    4. Molecular Formula: C14H22O
    5. Molecular Weight: 206.32388
    6. EINECS: 217-332-9
    7. Product Categories: N/A
    8. Mol File: 1818-08-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 300.3°Cat760mmHg
    3. Flash Point: 152.2°C
    4. Appearance: /
    5. Density: 0.935g/cm3
    6. Vapor Pressure: 0.000636mmHg at 25°C
    7. Refractive Index: 1.505
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: p-(1-methylheptyl)phenol(CAS DataBase Reference)
    11. NIST Chemistry Reference: p-(1-methylheptyl)phenol(1818-08-2)
    12. EPA Substance Registry System: p-(1-methylheptyl)phenol(1818-08-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1818-08-2(Hazardous Substances Data)

1818-08-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1818-08-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,8,1 and 8 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 1818-08:
(6*1)+(5*8)+(4*1)+(3*8)+(2*0)+(1*8)=82
82 % 10 = 2
So 1818-08-2 is a valid CAS Registry Number.
InChI:InChI=1/C14H22O/c1-3-4-5-6-7-12(2)13-8-10-14(15)11-9-13/h8-12,15H,3-7H2,1-2H3

1818-08-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-octan-2-ylphenol

1.2 Other means of identification

Product number -
Other names 4-sec.-Octyl-phenol

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1818-08-2 SDS

1818-08-2Relevant articles and documents

Methylation of phenolic hydroxyl group and demethylation of anisoles

Sato, Nobuhiro,Endo, Hiroyuki

experimental part, p. 229 - 230 (2009/12/03)

A mild methylation of phenolic hydroxyl groups with iodomethane was enabled in the presence of sodium bis(trimethylsilyl)amide at room temperature. The reverse reaction, namely demethylation of methyl phenyl ethers, was easily achieved by microwave heating with neat iodotrimethylsilane.

ALKYLATION OF PHENOL BY CHLOROALKANES IN THE PRESENCE OF ALUMINUM PHENOLATE

Kozlikovskii, Ya. B.,Koshchii, V. A.,Butov, S. A.

, p. 128 - 131 (2007/10/02)

The alkylation of phenol by benzyl chloride, 1-chloroadamantane, and tert-butyl chloride in the presence of aluminum phenolate leads to a mixture of the corresponding 2- and 4-alkylphenols and 2,6-dialkylphenols, in which the 2-alkylphenol usually predominates.During the alkylation of phenol by 2-chlorooctane 2- and 4-(3-octyl)phenols and 2- and 3-octyl phenyl ethers are formed in addition to 2- and 4-(2-octyl)phenols.

Equilibria for the isomerization of (secondary-alkyl)phenols and cyclohexylphenols

Nesterova, T. N.,Pimerzin, A. A.,Rozhnov, A. M.,Karlina, T. N.

, p. 385 - 396 (2007/10/02)

Equilibria of a series of isomerizations and trans-alkylations of alkylphenols have been investigated in the liquid phase over a wide range of temperatures.Equilibria of isomerizations connected with the displacement of a substituent on a benzene nucleus were studied for secondary-butyl, -amyl, -hexyl, and cyclohexyl-phenols, and di-(secondary-butyl)phenols.Equilibria of positional isomerization connected with the displacement of an oxyphenyl radical in an alkyl chain were investigated for oxyphenyl-pentanes, -hexanes, -octanes, and -decanes.Trans-alkylation was investigated for di- and tri-(secondary-butyl)phenols.Values of ΔrH0m and ΔrS0m were found for all investigated reactions.An analysis was made of the thermodynamic quantities for the reactions.Enthalpies of formation of isopropylphenols (IPP) in the gaseous state were calculated.The values of ΔfH0m/(kJ * mol-1) were found at 298.15 K: o-IPP, -(175.3 +/- 2.4); p-IPP, -(175.3 +/- 2.4); m-IPP, -(175.3 +/-2.4); 2,4-di-IPP, -(254.1 +/- 2.8); 2,5-di-IPP, -(254.1 +/- 2.8); 2,6-di-IPP, -(254.1 +/- 2.8); 3,5-di-IPP, -(254.1 +/- 2.8); 2,4,6-tri-IPP, -(333.0 +/- 3.1).

REACTION OF PHENOL WITH 1-OCTYNE IN THE PRESENCE OF ALUMINUM PHENOLATE

Kozlikovskii, Ya. B.,Koshchii, V. A.,Butov, S. A.

, p. 1713 - 1716 (2007/10/02)

The reaction of phenol with 1-octyne in the presence of aluminum phenolate leads to a mixture of the corresponding 2,2-di(hydroxyphenyl)octanes and substituted chromans and chromenes.At temperatures above 160 deg C 2- and 4-(2-octyl)phenols are also forme

Solvolysis of N-n-Alkylacridiniums in Phenol and Carboxylic Acids. Primary Carbonium Ions as Possible Intermediates

Katritzky, Alan R.,El-Mowafy, Azzahra M.

, p. 3511 - 3517 (2007/10/02)

N-n-Octyl (1a) and N-n-dodecylacridinium (1b) ions solvolyze in phenol to give mixtures of the n-alkyl phenyl ethers and all the isomeric secondary straight-chain o- and p-alkylphenols.Solvolyses of 1a in carboxylic acids give a mixture of 1-, 2-, 3-, and 4-octyl carboxylic esters.Structures are deduced by GC/MS.Mechanisms are discussed.

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