cis-3-Hexenyl n-valerate - ≥97% , CAS No.35852-46-1

CAS: 35852-46-1 Cat. No.: H117502 Peso molecular: 184.28 Número EC: 252-761-5
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
benzo[d]naphtho[1,2-b]thiophene | N-Valeric Acid Cis-3-Hexen-1-YL Ester | SCHEMBL51197 | Valeric acid, 3-hexenyl ester, (Z)- | FEMA 3936 | UNII-FLC67L4NLM | 3-HEXENYL VALERATE, CIS- | Pentanoic acid, 3-hexenyl ester, (Z)- | DTXSID40885636 | LMFA07010807 |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
H117502-1ml
4
9,90US$
5ml
H117502-5ml
3
11,90US$
25ml
H117502-25ml
4
28,90US$
100ml
H117502-100ml
2
79,90US$
500ml
H117502-500ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
327,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% 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

Sinónimos
benzo[d]naphtho[1, 2-b]thiophene | N-Valeric Acid Cis-3-Hexen-1-YL Ester | SCHEMBL51197 | Valeric acid, 3-hexenyl ester, (Z)- | FEMA 3936 | UNII-FLC67L4NLM | 3-HEXENYL VALERATE, CIS- | Pentanoic acid, 3-hexenyl ester, (Z)- | DTXSID40885636 | LMFA07010807 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid488195471
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195471
Sonrisas canónicasCCCCC(=O)OCCC=CCC
IUPAC Name[(Z)-hex-3-enyl] pentanoate
InChIKeyXPFTVTFOOTVHIA-ALCCZGGFSA-N
INCHI1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
Isómeros SMILES CCCCC(=O)OCC/C=C\CC
Peso molecular 184.28
Reaxy-Rn 33035807
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33035807&ln=

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
ClaseFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

10 results found

Lot NumberCertificate TypeFechaArticulo
G2320142Certificate of AnalysisMay 09, 2026 H117502
G2320129Certificate of AnalysisMay 09, 2026 H117502
G2320126Certificate of AnalysisMay 09, 2026 H117502
L2209147Certificate of AnalysisSep 09, 2025 H117502
I2511333Certificate of AnalysisApr 19, 2025 H117502
I2511502Certificate of AnalysisApr 19, 2025 H117502
I2511505Certificate of AnalysisApr 19, 2025 H117502
I2511509Certificate of AnalysisApr 19, 2025 H117502
I1917053Certificate of AnalysisApr 02, 2025 H117502
G2320123Certificate of AnalysisAug 02, 2023 H117502
Propiedades químicas y físicas
Punto de inflamación (°C)106 ℃
Peso molecular184.270 g/mol
XLogP33.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass184.146 Da
Monoisotopic Mass184.146 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count13
Formal Charge0
Complexity150.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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