2-Phenylethyl Isovalerate - ≥98%(GC) , CAS No.140-26-1

CAS: 140-26-1 Cat. No.: P160776 分子式: C13H18O2 分子量: 206.29 EC番号: 205-406-3 PubChem CID: 8792
注文可能
GRADE & PURITY ≥98%(GC)
Synonyms
ISOVALERIC ACID, PHENETHYL ESTER | Isovaleric Acid Phenethyl Ester | FEMA No. 2871 | NSC21899 | NSC-21899 | Isovaleric Acid 2-Phenylethyl Ester | BRN 2504902 | Phenethyl isopentanoate | Benzylcarbinyl 3-methylbutanoate | P2009 | Phenethyl 3-methylbutyrate
Storage
Room temperature
Shipped In
Normal
★
Size
USA
ドイツ (EU)*
Price
Qty
25ml
P160776-25ml
2 在庫あり
—
$9.90
100ml
P160776-100ml
2 在庫あり
—
$21.90
500ml
P160776-500ml
1 在庫あり
—
$58.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語
ISOVALERIC ACID, PHENETHYL ESTER | Isovaleric Acid Phenethyl Ester | FEMA No. 2871 | NSC21899 | NSC-21899 | Isovaleric Acid 2-Phenylethyl Ester | BRN 2504902 | Phenethyl isopentanoate | Benzylcarbinyl 3-methylbutanoate | P2009 | Phenethyl 3-methylbutyrate
仕様と純度
≥98%(GC)
保管条件
Room temperature
入荷
Normal
純度
≥98%(GC)
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504751735
カノニカル・スマイル
CC(C)CC(=O)OCCC1=CC=CC=C1
IUPAC Name
2-phenylethyl 3-methylbutanoate
InChIKey
JIMGVOCOYZFDKB-UHFFFAOYSA-N
INCHI
1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
異性体SMILES
CC(C)CC(=O)OCCC1=CC=CC=C1
RTECS
NY1511500
PubChem CID
8792
分子量
206.29
Reaxy-Rn
2504902

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
分類Fatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Benzene and substituted derivatives  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
説明This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate Type日付商品
K1919156Certificate of AnalysisSep 07, 2023 P160776
化学的性質と物理的性質
溶解度Insoluble in water; Soluble in Alcohol
屈折率1.4830 - 1.4870
引火点(°F)100°C
引火点(°C)100°C
沸点(°C)268°C
分子量206.280 g/mol
XLogP33.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass206.131 Da
Monoisotopic Mass206.131 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count15
Formal Charge0
Complexity181.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
ソリューション計算機
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