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3-(Methylthio)propyl Acetate - ≥98%(GC) , CAS No.16630-55-0

3-(Methylthio)propyl Acetate - ≥98%(GC) , CAS No.16630-55-0

Name: 3-(Methylthio)propyl Acetate - ≥98%(GC) , CAS No.16630-55-0
Brand: Aladdin Scientific
SKU: M157982
Availability: InStock

CAS: 16630-55-0 Cat. No.: M157982 Molecular Weight: 148.22 EC Number: 240-679-2

COA

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3-(Methylthio)propyl Acetate - ≥98%(GC) CAS No(16630-55-0) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥98%(GC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

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

Synonyms

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Canonical Smiles	CC(=O)OCCCSC
IUPAC Name	3-methylsulfanylpropyl acetate
InChIKey	LPZQTNIAYMRVMF-UHFFFAOYSA-N
INCHI	1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
Isomeric SMILES	CC(=O)OCCCSC
Molecular Weight	148.22
Reaxy-Rn	1924390
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1924390&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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	acetate ester - methyl sulfide
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

2 results found

Lot Number	Certificate Type	Date	Item
D1903125	Certificate of Analysis	Jan 06, 2023	M157982
L2208485	Certificate of Analysis	Dec 15, 2022	M157982

Chemical and Physical Properties

Refractive Index	1.4610 to 1.4650
Flash Point(°C)	85 °C
Boil Point(°C)	96°C
Molecular Weight	148.230 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	148.056 Da
Monoisotopic Mass	148.056 Da
Topological Polar Surface Area	51.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.100
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

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