SDF/Mol File of CARVACROL (C10H14O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying CARVACROL Molecule

• Chemical structure of CARVACROL

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of CARVACROL is available in chemical structure page of CARVACROL, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of CARVACROL

  The molecular weight of CARVACROL is available in molecular weight page of CARVACROL, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of CARVACROL

  The chemical formula of CARVACROL is given in chemical formula page of CARVACROL, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of CARVACROL

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of CARVACROL is:

  InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

  It can provide a standard way to encode the molecular information of CARVACROL to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of CARVACROL is:

  InChIKey=RECUKUPTGUEGMW-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for CARVACROL, but it needs to be linked to the full InChI to get back to the original structure of the CARVACROL since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of CARVACROL

  The CARVACROL compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of CARVACROL including the registry numbers are listed below, if available:

  • C-33406
  • BBV-75846407
  • BENZENE,2-HYDROXY,4-ISOPROPYL,1-METHYL CARVACROL
  • Z1317839236
  • F8889-1978
  • W-105999
  • I06-2112
  • Carvacrol, primary pharmaceutical reference standard
  • A827907
  • 2-HYDROXY-4-ISOPROPYL-1-METHYLBENZENE

  • 4CH-010196
  • CAS-499-75-2
  • RTR-017902
  • LMPR0102090017
  • BDBM50240433
  • ANW-30877
  • Carvacrol, >=98%, FCC, FG
  • 5-ISOPROPYL-2-METHYPHENOL
  • 2-methyl-5-propan-2-yl-phenol
  • Carvacrol, natural, 99%, FG

  • GTPL2497
  • Carvacrol, analytical standard
  • BIDD:ER0492
  • 3-Isopropyl-6-methyl phenol
  • 2-HYDROXY-4-CYMENE
  • CYMOPHENOL
  • Carvacrol, 98%
  • Carvacrol Natural
  • Oxycymol
  • MFCD00002236

  • 9B1J4V995Q
  • 2-methyl-5-(methylethyl)phenol
  • EPA Pesticide Chemical Code 022104
  • FEMA No. 2245
  • 1-Methyl-2-hydroxy-4-isopropylbenzene
  • Cymenol
  • 2-methyl-5-propan-2-ylphenol
  • Caswell No. 511
  • Cymene-2-ol, p-
  • 1-Hydroxy-2-methyl-5-isopropylbenzene

  • Phenol, 3-isopropyl-6-methyl-
  • 5-Isopropyl-2-methyl-phenol
  • 6-Methyl-3-isopropylphenol
  • Phenol, 5-isopropyl-2-methyl-
  • 2-Methyl-5-(1-methylethyl)phenol
  • 3-Isopropyl-6-methylphenol
  • o-Cresol, 5-isopropyl-
  • p-Cymene, 2-hydroxy-
  • 2-Methyl-5-isopropylphenol
  • p-Cymen-2-ol

  • Phenol, 2-methyl-5-(1-methylethyl)-
  • 2-Hydroxy-p-cymene
  • 2-p-Cymenol
  • 5-Isopropyl-o-cresol
  • Karvakrol
  • Isothymol
  • Antioxine
  • o-Thymol
  • Isopropyl-o-cresol
  • 499-75-2

  • 5-Isopropyl-2-methylphenol
  • CARVACROL

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CARVACROL Identification Summary Frequently Asked Questions (FAQs)

What’s the CARVACROL formula?
C10H14O
How many atoms and what elements are included in the CARVACROL molecule?
25 atom(s) - 14 Hydrogen atom(s), 10 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the CARVACROL structure?
25 bond(s) - 11 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 aromatic hydroxyl(s)
What’s the CARVACROL’s molar mass?
150.21756 g/mol
What’s the SMILES structure of CARVACROL?
CC(C)c1ccc(C)c(O)c1
What’s the InChI code of CARVACROL?
InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3
What’s the InChIKey format of CARVACROL?
RECUKUPTGUEGMW-UHFFFAOYSA-N

467 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).