tert-Amyl alcohol - ≥99% , CAS No.75-85-4

CAS: 75-85-4 Cat. No.: A103417 Molecular Weight: 88.15 Beilstein Registry Number: 1361351 EC Number: 200-908-9

GRADE & PURITY ≥99%

Synonyms

1,1-Dimethyl-1-propanol | Ethyldimethylcarbinol | tert-Pentanol | tert-Amyl alcohol | 2-Methyl-2-butanol

Storage

Protected from light,Room temperature

Shipped In

FedEx DG Service

Overview

Tert-Amyl alcohol is an isomer of amyl alcohol and has been used in solubilization and extraction cytoplasmic bound membrane enzymes and synthesis of ginsenoside Rb1 esters. The compound has also been utilized in anaerobic biotransformation studies as well as the affects it has on the structure and function of microbial communities in soil.
An organic solvent used for organic synthesis and biotransformation

Specifications

Synonyms

1, 1-Dimethyl-1-propanol | Ethyldimethylcarbinol | tert-Pentanol | tert-Amyl alcohol | 2-Methyl-2-butanol

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180061
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180061
• Canonical Smiles: CCC(C)(C)O
• IUPAC Name: 2-methylbutan-2-ol
• InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N
• INCHI: 1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3
• Isomeric SMILES: CCC(C)(C)O
• WGK Germany: 1
• RTECS: SC0175000
• UN Number: 1105
• Packing Group: II
• Molecular Weight: 88.15
• Beilstein: 1361351
• Reaxy-Rn: 1361351
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361351&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Enterococcus faecalis (29875 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Tetrahymena pyriformis (68 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (12.5 g/l) at 20 °C.
• Sensitivity: Light sensitive.
• Refractive Index: 1.404-1.406
• Flash Point(°F): 66.9°F
• Flash Point(°C): 19.4℃
• Boil Point(°C): 102.5°C
• Melt Point(°C): -12°C
• Molecular Weight: 88.150 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 39.200
• 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

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