Product name：Carvacrol

Computed Properties

• Exact Mass: 150.10400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Monoisotopic Mass: 150.104465
• Heavy Atom Count: 11
• Complexity: 120
• 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
• Rotatable Bond Count: 1
• isomeric RMSD: 0.4
• CID conformational isomer Count: 3
• XLogP3: 3.1
• Functional 3D Donor Count: 1
• Tautomer Count: 9
• Functional 3D ring Count: 1
• Functional 3D hydrophobic Count: 1
• Surface Charge: 0
• Topological Polar Surface Area: 20.2
• Molecular Weight: 150.22

Experimental Properties

• LogP: 2.82400
• PSA: 20.23000
• Merck: 1872
• Refractive Index: n20/D 1.522(lit.)
• Water Partition Coefficient: Insoluble
• Boiling Point: 236-237 °C(lit.)
• Melting Point: 3-4 °C (lit.)
• Flash Point: Degrees Fahrenheit:222.8°F
  Degrees Celsius:106°C
  
• FEMA: 2245
• Solubility: 1.25g/l
• Color/Form: Colorless or yellowish crystals
• Stability/Shelf Life: Stable. Combustible. Incompatible with strong bases, strong oxidizing agents.
• Solubility: Insoluble in water, soluble in ethanol, acetone, ethyl acetate and other organic solvents
• Density: 0.976 g/mL at 20 °C(lit.)
• Refractive Index: INDEX OF REFRACTION: 1.5230 @ 20 °C/D; MAX ABSORPTION (ALCOHOL): 277.5 NM (LOG E= 3.26); SADTLER REFERENCE NUMBER: 2470 (IR, PRISM)
• Odor: THYMOL ODOR

• Symbol: GHS05 GHS07
• RTECS：FI1225000
• WGK Germany：3
• Safety Instruction：S26-S36/37/39-S45
• Packing Group：III
• Risk Phrases：R22; R34
• Hazard Level：8
• Dangerous goods sign： C
• Hazardous Material transportation number：UN 3265 8/PG 3
• Hazard Statement：H302,H314
• Warning Statement：P280,P305+P351+P338,P310
• Prompt：warning
• Storage Condition：−20°C
• PackingGroup：III
• Hazard Category Code：22-34
• Signal Word：Danger
• Toxicity：LD orally in rabbits: 100 mg/kg (Kochmann)
• HazardClass：8

• 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%

• 1. New carvacrol and thymol derivatives as potential insecticides: synthesis, biological activity, computational studies and nanoencapsulation Carolina M. Natal,Maria José G. Fernandes,Nuno F. S. Pinto,Renato B. Pereira,Tatiana F. Vieira,Ana Rita O. Rodrigues,David M. Pereira,Sérgio F. Sousa,A. Gil Fortes,Elisabete M. S. Castanheira,M. Sameiro T. Gon?alves RSC Adv. 2021 11 34024
• 2. Rapid dissolution of high concentration poly(3-hydroxybutyrate) using neoteric biosolvents: experiment and molecular dynamics simulation Joseph Kinyanjui Muiruri,Jayven Chee Chuan Yeo,Tang Yuanting Karen,Ke Li,Enyi Ye,Xian Jun Loh,Zibiao Li Green Chem. 2023 25 5276
• 3. The polymerization of carvacrol catalyzed by Mn-porphyrins: obtaining the desired product guided by the choice of solvent, oxidant, and catalyst Patrícia Salvador Tessaro,Alexandre Moreira Meireles,Adriano Silva Guimar?es,Bernardo Schmitberger,Ana Luísa Almeida Lage,Patrícia Santiago de Oliveira Patrício,Dayse Carvalho da Silva Martins,Gilson DeFreitas-Silva New J. Chem. 2022 46 21136
• 4. Biobased polymer resources and essential oils: a green combination for antibacterial applications Christine Elian,Samir Abbad Andaloussi,Régis Moilleron,Jean-Winoc Decousser,Cyrille Boyer,Davy-Louis Versace J. Mater. Chem. B 2022 10 9081
• 5. Sustainable hydrophobic thermosetting resins and polycarbonates from turpentine Benjamin G. Harvey,Andrew J. Guenthner,Thomas A. Koontz,Perrin J. Storch,Josiah T. Reams,Thomas J. Groshens Green Chem. 2016 18 2416
• 6. Hydrogenolysis process for lignosulfonate depolymerization using synergistic catalysts of noble metal and metal chloride Riyang Shu,Ying Xu,Longlong Ma,Qi Zhang,Tiejun Wang,Pengru Chen,Qingyun Wu RSC Adv. 2016 6 88788
• 7. Carvacrol preserves antioxidant status and attenuates kidney fibrosis via modulation of TGF-β1/Smad signaling and inflammation Chetan Ram,Shobhit Gairola,Abu Mohammad Syed,Shobhit Verma,Madhav Nilakanth Mugale,Bidya Dhar Sahu Food Funct. 2022 13 10587
• 8. Synthesis of a new magnetic metal organic framework based on nickel for extraction of carvacrol and thymol in thymus and savory samples and analyzed with gas chromatography Somaye Siahkamari,Ali Daneshfar RSC Adv. 2023 13 7664
• 9. Identification of microbial volatile organic compounds (MVOCs) emitted from fungal isolates found on cinematographic film Gavin D. Bingley,Joanna Verran,Lindsey J. Munro,Craig E. Banks Anal. Methods 2012 4 1265
• 10. Novel LDPE/halloysite nanotube films with sustained carvacrol release for broad-spectrum antimicrobial activity R. Shemesh,M. Krepker,M. Natan,Y. Danin-Poleg,E. Banin,Y. Kashi,N. Nitzan,A. Vaxman,E. Segal RSC Adv. 2015 5 87108

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