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1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)-, commonly known as dihydroxyisoeugenol, is a chemical compound derived from various plant species. It is distinguished by its aromatic and phenolic characteristics, which contribute to its widespread use in the fragrance and flavoring industries. Additionally, dihydroxyisoeugenol is recognized for its antioxidant and antimicrobial properties, and it is valued in traditional medicine for its potential health benefits.

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  • 115781-08-3 Structure
  • Basic information

    1. Product Name: 1,3-Benzenediol, 2-(1-Methylethyl)-5-(2-phenylethenyl)-
    2. Synonyms: 1,3-Benzenediol, 2-(1-Methylethyl)-5-(2-phenylethenyl)-
    3. CAS NO:115781-08-3
    4. Molecular Formula: C17H18O2
    5. Molecular Weight: 254.32362
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 115781-08-3.mol
  • Chemical Properties

    1. Melting Point: 142 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
    2. Boiling Point: 431.8±20.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.158±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 9.86±0.15(Predicted)
    10. CAS DataBase Reference: 1,3-Benzenediol, 2-(1-Methylethyl)-5-(2-phenylethenyl)-(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1,3-Benzenediol, 2-(1-Methylethyl)-5-(2-phenylethenyl)-(115781-08-3)
    12. EPA Substance Registry System: 1,3-Benzenediol, 2-(1-Methylethyl)-5-(2-phenylethenyl)-(115781-08-3)
  • 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: 115781-08-3(Hazardous Substances Data)

115781-08-3 Usage

Uses

Used in Perfumery and Flavoring Industry:
1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)is used as a fragrance and flavoring agent due to its aromatic properties, enhancing the sensory experience of various products.
Used in Traditional Medicine:
1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)is used as a medicinal ingredient for its potential health benefits, leveraging its antioxidant and antimicrobial properties to support traditional healing practices.
Used in Antimicrobial Applications:
1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)is used as an antimicrobial agent in various applications, such as in the food industry to extend shelf life and in pharmaceuticals to combat infections, due to its ability to inhibit the growth of microorganisms.
Used in Antioxidant Formulations:
1,3-Benzenediol, 2-(1-methylethyl)-5-(2-phenylethenyl)is used as an antioxidant in formulations to protect against oxidative stress and damage, which can be beneficial in cosmetic products, food preservation, and health supplements.

Check Digit Verification of cas no

The CAS Registry Mumber 115781-08-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,5,7,8 and 1 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 115781-08:
(8*1)+(7*1)+(6*5)+(5*7)+(4*8)+(3*1)+(2*0)+(1*8)=123
123 % 10 = 3
So 115781-08-3 is a valid CAS Registry Number.

115781-08-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Isopropyl-5-[(E)-2-phenylvinyl]-1,3-benzenediol

1.2 Other means of identification

Product number -
Other names -

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:115781-08-3 SDS

115781-08-3Downstream Products

115781-08-3Relevant articles and documents

Biomimetic Total Synthesis of (±)-Carbocyclinone-534 Reveals Its Biosynthetic Pathway

Qu, Chunlei,Long, Xianwen,Sang, Yueqian,Zhang, Min,Zhao, Xiaoli,Xue, Xiao-Song,Deng, Jun

, p. 9421 - 9426 (2020)

Carbocyclinone-534 is a new antibiotic produced after the metabolism of tapinarof. We identify a biomimetic total synthesis of carbocyclinone-534 in eight steps by taking advantage of an intermolecular Diels-Alder homodimerization/dehydrogenation/intramolecular Diels-Alder cycloaddition cascade. This synthetic sequence provides direct experimental evidence for revealing the biosynthetic pathway of carbocyclinone-534.

Synthesis method of (E)-3,5-dihydroxy-4-isopropyl stilbene

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Paragraph 0223-0232, (2021/01/29)

The invention discloses a synthesis method of (E)-3,5-dihydroxy-4-isopropyl stilbene, which comprises the following steps: by using a biomass-derived raw material 3,5-dihydroxy-2,4-diethoxycarbonyl ethyl phenylacetate as an initiator, carrying out hydrolysis decarboxylation, isopropylation, condensation, decarboxylation, isomerization and other reaction steps to synthesize the (E)-3,5-dihydroxy-4-isopropyl stilbene. In the invention, the biomass derivative raw materials can be adopted as initiators, operation is easy and convenient, the steps are simple and convenient, functional group protection and deprotection are not needed, and atom economy is good; the intermediate can be put into the next step of reaction without complex separation and purification, so that large-scale preparation is facilitated; and the generated excessive waste acid and catalyst compound can be recycled, so that the cost of the technological process is reduced, the emission is reduced, and the method is greenand environment-friendly.

Anti-inflammatory compound and application thereof

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, (2020/06/17)

The invention relates to the technical field of chemical cosmetics or medicines, and concretely relates to an anti-inflammatory compound and an application thereof. By preparing a series of compoundswith an anti-inflammatory function, the obtained anti-inflammatory compound can be used for preparing cosmetic reagents or pharmaceutical reagents, and the cosmetic reagents and the pharmaceutical reagents are not specifically limited, for example, the cosmetics can be a smoothing toner, a nutritional toner, a massage cream, a nutritional cream, a mask, an emollient, a gel, and gel or shower gel shampoo and other washing type cosmetics, and can also be a pharmaceutical preparation product similar to lotion and cream, ointment, cream, plaster or spray and the like. The anti-inflammatory compound also can be used by sensitive skins, and also can be added into infant and child cosmetics to reduce irritation.

(E) - 2-phenyl-3 - (3,5-dimethoxy-4-cumene) method for the purification of acrylic acid

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, (2016/10/09)

The invention discloses a purifying method of (E)-2-phenyl-3-(3,5-dimethoxy-4-isopropyl benzene) crylic acid and comprises two steps: 1, carrying out selective esterification on (E)-2-phenyl-3-(3,5-dimethoxy-4-isopropyl benzene) crylic acid with purity of

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