1-Phenylethyl acetate - ≥98% , CAS No.93-92-5

CAS: 93-92-5 Cat. No.: P195955 Formule: C₁₀H₁₂O₂ Poids moléculaire: 164.2 Numéro CE: 202-288-5 PubChem CID: 62341

QUALITÉ & PURETÉ ≥98%

Synonyms

.alpha.-Methylbenzyl alcohol, acetate | DS-6630 | SCHEMBL114793 | Styrallyl acetate | FEMA 2684 | FT-0628865 | EINECS 202-288-5 | METHYL PHENYLCARBINYL ACETATE [FCC] | CAS-93-92-5 | EC 202-288-5 | methyl phenylcarbinyl acetate | UNII-FYS3E9NBA3 | 4-06-00-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

.alpha.-Methylbenzyl alcohol, acetate | DS-6630 | SCHEMBL114793 | Styrallyl acetate | FEMA 2684 | FT-0628865 | EINECS 202-288-5 | METHYL PHENYLCARBINYL ACETATE [FCC] | CAS-93-92-5 | EC 202-288-5 | methyl phenylcarbinyl acetate | UNII-FYS3E9NBA3 | 4-06-00-

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504753834

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753834

Sourires canoniques

CC(C1=CC=CC=C1)OC(=O)C

IUPAC Name

1-phenylethyl acetate

InChIKey

QUMXDOLUJCHOAY-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3

Isomères SMILES

CC(C1=CC=CC=C1)OC(=O)C

PubChem CID

62341

Poids moléculaire

164.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

• Indice de réfraction: n20/D 1.494 (lit.)
• Point d'éclair (°C): 91 °C - closed cup
• Point d'ébullition (°C): 94-95 °C/12 mmHg (lit.)
• Poids moléculaire: 164.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 93-92-5, the molecular formula is C10H12O2, and the molecular weight is 164.2 g/mol. InChIKey QUMXDOLUJCHOAY-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.