2-Butanol - anhydrous, ≥99.5% , CAS No.78-92-2

CAS: 78-92-2 Cat. No.: B110361 Formula: C₄H₁₀O Molecular Weight: 74.12 Beilstein Registry Number: 773649 EC Number: 201-158-5

GRADE & PURITY Anhydrous Grade, ≥99.5%

Synonyms

2-Butanol (natural) | rac-2-butanol | Butanol secondaire (French) | Methylethyl carbinol | 2-Butanol, CP grade | SY050112 | Butanol-2 | sec. butyl alcohol | Caswell No. 119C | NSC25499 | NSC-25499 | sec.-butanol | Butane, 2-hydroxy- | CCS 301 | n-Butan-2-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

2-Butanol (natural) | rac-2-butanol | Butanol secondaire (French) | Methylethyl carbinol | 2-Butanol, CP grade | SY050112 | Butanol-2 | sec. butyl alcohol | Caswell No. 119C | NSC25499 | NSC-25499 | sec.-butanol | Butane, 2-hydroxy- | CCS 301 | n-Butan-2-

Specifications & Purity

anhydrous, ≥99.5%

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Anhydrous Grade

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

504751126

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751126

Canonical Smiles

CCC(C)O

IUPAC Name

butan-2-ol

InChIKey

BTANRVKWQNVYAZ-UHFFFAOYSA-N

INCHI

1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

Isomeric SMILES

CCC(C)O

WGK Germany

1

RTECS

EO1750000

UN Number

1120

Packing Group

III

Molecular Weight

74.12

Beilstein

773649

Reaxy-Rn

773649

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773649&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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: a small molecule

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(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

Associated Targets(non-human)

Tetrahymena pyriformis (68 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Refractive Index: 1.397
• Flash Point(°F): 78.8℉
• Flash Point(°C): 26℃
• Boil Point(°C): 98°C
• Melt Point(°C): -115°C
• Molecular Weight: 74.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.600
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Anhydrous Grade mean?

Anhydrous Grade indicates that the material has been processed and tested for moisture-sensitive chemistry. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 78-92-2, the molecular formula is C4H10O, and the molecular weight is 74.12 g/mol. InChIKey BTANRVKWQNVYAZ-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.