Prenyl acetate - ≥98%(GC) , CAS No.1191-16-8

CAS: 1191-16-8 Cat. No.: P138080 Formule: CH₃CO₂CH₂CH=C(CH₃)₂ Poids moléculaire: 128.17 Numéro CE: 214-730-4

GRADE & PURITY ≥98%(GC)

Synonyms

2-Buten-1-ol, 3-methyl-, 1-acetate | I7KOV03HGS | MFCD00036569 | Prenyl acetate, analytical standard | acetic acid 3-methylbut-2-enyl ester | EN300-7018035 | Prenyl acetate | DTXSID9047128 | UNII-I7KOV03HGS | FEMA NO. 4202 | 1-acetoxy-3-methyl-2-butene |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-Buten-1-ol, 3-methyl-, 1-acetate | I7KOV03HGS | MFCD00036569 | Prenyl acetate, analytical standard | acetic acid 3-methylbut-2-enyl ester | EN300-7018035 | Prenyl acetate | DTXSID9047128 | UNII-I7KOV03HGS | FEMA NO. 4202 | 1-acetoxy-3-methyl-2-butene |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488181995

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181995

Sourires canoniques

CC(=CCOC(=O)C)C

IUPAC Name

3-methylbut-2-enyl acetate

InChIKey

XXIKYCPRDXIMQM-UHFFFAOYSA-N

INCHI

1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3

Isomères SMILES

CC(=CCOC(=O)C)C

WGK Allemagne

2

RTECS

EM9473700

Numéro ONU

3272

Groupe d'emballage

III

Poids moléculaire

128.17

Reaxy-Rn

1746265

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriétés chimiques et physiques

• Solubilité: H2O: insoluble； alcohol: soluble
• Indice de réfraction: 1.43
• Point d'éclair (°F): 104°F
• Point d'éclair (°C): 40℃
• Point d'ébullition (°C): 140℃
• Poids moléculaire: 128.169 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 121.000
• 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

Foire aux questions

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

The CAS Number is 1191-16-8, the molecular formula is C7H12O2, and the molecular weight is 128.17 g/mol. InChIKey XXIKYCPRDXIMQM-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 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.