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CAS

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698-71-5

3-Ethyl-5-methylphenol, also known as 3-ethyl-5-methylphenol, is a chemical compound with the molecular formula C9H12O. This organic compound is a colorless, viscous liquid that is insoluble in water. It is characterized by a strong, sweet, and floral odor and is commonly used as a solvent and an intermediate for the synthesis of other chemicals.

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  • 698-71-5 Structure

  • Basic information

    1. Product Name: 3-ETHYL-5-METHYLPHENOL
    2. Synonyms: 3-ETHYL-5-METHYLPHENOL;1-Hydroxy-3-methyl-5-ethylbenzene;m-Cresol, 5-ethyl-;Phenol, 3-ethyl-5-methyl-;5-ethyl-m-cresol;3-METHYL-5-ETHYLPHENOL;3-ethyl-5-methylphenol sky
    3. CAS NO:698-71-5
    4. Molecular Formula: C9H12O
    5. Molecular Weight: 136.19
    6. EINECS: 211-818-4
    7. Product Categories: N/A
    8. Mol File: 698-71-5.mol

  • Chemical Properties

    1. Melting Point: 55°C
    2. Boiling Point: 236°C
    3. Flash Point: 103.5 °C
    4. Appearance: /
    5. Density: 0.9809 (estimate)
    6. Refractive Index: 1.5116 (estimate)
    7. Storage Temp.: Inert atmosphere,Room Temperature
    8. Solubility: N/A
    9. PKA: 10.18±0.10(Predicted)
    10. Water Solubility: 2.315g/L(25 oC)
    11. CAS DataBase Reference: 3-ETHYL-5-METHYLPHENOL(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-ETHYL-5-METHYLPHENOL(698-71-5)
    13. EPA Substance Registry System: 3-ETHYL-5-METHYLPHENOL(698-71-5)

  • 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: 698-71-5(Hazardous Substances Data)

698-71-5 Usage

Uses

Used in Fragrance Industry:
3-Ethyl-5-methylphenol is used as a fragrance ingredient for its strong, sweet, and floral scent. It contributes to the creation of various perfumes, colognes, and other scented products due to its pleasant aroma.
Used in Flavoring Industry:
In the flavoring industry, 3-ethyl-5-methylphenol is used as a flavoring agent to enhance the taste of food and beverages. Its unique flavor profile adds depth and complexity to a variety of products.
Used in Pharmaceutical Industry:
3-Ethyl-5-methylphenol serves as an intermediate in the synthesis of pharmaceuticals. Its chemical properties make it a valuable component in the development of new drugs and medications.
It is important to handle 3-ethyl-5-methylphenol with care, as it can cause irritation to the skin, eyes, and respiratory system if not used properly. Proper safety measures should be taken during its use to minimize potential health risks.

Check Digit Verification of cas no

The CAS Registry Mumber 698-71-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,9 and 8 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 698-71:
(5*6)+(4*9)+(3*8)+(2*7)+(1*1)=105
105 % 10 = 5
So 698-71-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3

698-71-5SDS

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 3-ETHYL-5-METHYLPHENOL

1.2 Other means of identification

Product number -
Other names 5-Hydroxy-1-methyl-3-aethyl-benzol

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:698-71-5 SDS

698-71-5Relevant articles and documents

Regioselective formation of optically active cycloheptatrienes by chiral tethered buechner reaction

Sugimura, Takashi,Ohuchi, Naoko,Kagawa, Masami,Hagiya, Kazutake,Okuyama, Tadashi

, p. 404 - 405 (2007/10/03)

Optically active cycloheptatrienes were prepared by addition of the rhodium carbenoid to polysubstituted phenyl rings connected by a 2,4-pentanediol tether in sufficient regio- and stereoselectivity.

THE FLOW THERMOLYSES OF 1-ISOBUTENYL ALKYNYL- AND 2-METHYLPHENYL ALKYNYL KETONES. SYNTHESIS OF METHYLENOMYCIN B

Koller, Manuel,Karpf, Martin,Dreiding, Andre S.

, p. 19 - 22 (2007/10/02)

The gas flow thermolyses of 1-isobutenyl alkynyl and 2-methylphenyl alkynyl ketones were found to lead to phenols and to cyclopentenones.The results are explained by a 5-ring carbene process (the known α-alkynone cyclization) and a 6-ring as well as a 5-ring addition process.The latter two (novel) processes are thought to be intramolecular "C-H to CC additions" in two directions.The 5-ring addition process was used in a short (but low yield) synthesis of methylenomycin B.

The Gas-Flow Thermolysis of 1-Isobutenyl Alkynyl and 2-Methylphenyl Alkynyl Ketones. Synthesis of Methylenomycin B

Koller, Manuel,Karpf, Martin,Dreiding, Andre S.

, p. 560 - 579 (2007/10/02)

The gas-flow thermolysis of 1-isobutenyl alkynyl or 2-methyphenyl alkynyl ketones were found to lead to phenols and cyclopentenones or to naphthols and indanones, respectively.These conversions involve two cyclization processes so far unknown with α-alkynones; they are interpreted as intramolecular additions of an allylic or a benzylic C,H bond to a triple bond which may occur in two directions.In addition, the cyclopentenones formed by the α-alkynone cyclization, a known carbene process yielding 5-rings, were also found.The available evidence ruled out a carbene process yielding 6-rings.The addition process yielding 5-rings was applied to a short (but low yield) synthesis of methylenomycin B.

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