Terpinyl Acetate - 10mM in DMSO , CAS No.80-26-2

CAS: 80-26-2 Cat. No.: T426068 Formula: C₁₂H₂₀O₂ Peso molecolare: 196.29 Beilstein Registry Number: 6(4)252 Numero EC: 201-265-7 PubChem CID: 111037

GRADE & PURITY 10mM in DMSO

Synonyms

Terpinyl acetate|ALPHA-TERPINYL ACETATE|80-26-2|Terpineol, acetate|8007-35-0|p-Menth-1-en-8-yl acetate|p-Menth-1-en-8-ol, acetate|alpha-Terpineol acetate|(+/-)-alpha-Terpinyl acetate|alpha-Terpineol, acetate|.alpha.-Terpinyl acetate|2-(4-methylcyclohex-3-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

Terpinyl acetate | ALPHA-TERPINYL ACETATE | 80-26-2 | Terpineol, acetate | 8007-35-0 | p-Menth-1-en-8-yl acetate | p-Menth-1-en-8-ol, acetate | alpha-Terpineol acetate | (+/-)-alpha-Terpinyl acetate | alpha-Terpineol, acetate | .alpha.-Terpinyl acetate | 2-(4-methylcyclohex-3-

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Nomi e identificatori

Pubchem Sid

528769471

Sorrisi canonici

CC1=CCC(CC1)C(C)(C)OC(=O)C

IUPAC Name

2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate

InChIKey

IGODOXYLBBXFDW-UHFFFAOYSA-N

INCHI

1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3

Isomeri SMILES

CC1=CCC(CC1)C(C)(C)OC(=O)C

RTECS

OT0200000

PubChem CID

111037

Peso molecolare

196.29

Beilstein

6(4)252

Reaxy-Rn

3198769

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 Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: Menthane monoterpenoids

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.47
• Punto di infiammabilità (°F): 115°C(lit.)
• Punto di infiammabilità (°C): 115°C(lit.)
• Punto di ebollizione (°C): 94°C/4mmHg(lit.)
• Peso molecolare: 196.290 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1