trans-4-(1-hydroxy-1-methyl-ethyl)cyclohexanecarboxylic acid - ≥97% , CAS No.183996-92-1

CAS: 183996-92-1 Cat. No.: T630816 Formula: C₁₀H₁₈O₃ Peso molecolare: 186.25 PubChem CID: 83684371

GRADE & PURITY ≥97%

Synonyms

183996-92-1 | trans-4-(1-hydroxy-1-methyl-ethyl)cyclohexanecarboxylic acid | 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid | 91006-79-0 | Rel-(1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid | starbld0030163 | SCHEMBL16205248 | SCHEMB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

183996-92-1 | trans-4-(1-hydroxy-1-methyl-ethyl)cyclohexanecarboxylic acid | 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid | 91006-79-0 | Rel-(1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid | starbld0030163 | SCHEMBL16205248 | SCHEMB

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC(C)(C1CCC(CC1)C(=O)O)O

IUPAC Name

4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

InChIKey

AVMLEZXKTFPIFG-UHFFFAOYSA-N

INCHI

1S/C10H18O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h7-8,13H,3-6H2,1-2H3,(H,11,12)

Isomeri SMILES

CC(C)(C1CCC(CC1)C(=O)O)O

PubChem CID

83684371

Peso molecolare

186.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Tertiary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Tertiary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Peso molecolare: 186.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.126 Da
• Monoisotopic Mass: 186.126 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 183996-92-1, the molecular formula is C10H18O3, and the molecular weight is 186.25 g/mol. InChIKey AVMLEZXKTFPIFG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.