3-Methoxybutyl Ester - ≥99% , CAS No.4435-53-4

CAS: 4435-53-4 Cat. No.: M118697 분자식: C7H14O3 분자량: 146.18 EC 번호: 224-644-9
주문 가능
GRADE & PURITY ≥99%
Synonyms
3-Methoxybutyl acetate, AldrichCPR | 4-02-00-00222 (Beilstein Handbook Reference) | QMYGFTJCQFEDST-UHFFFAOYSA-N | 3-METHOXYBUTYL ACETATE | Acetic Acid 3-Methoxybutyl Ester | SCHEMBL36334 | 3-methoxy-n-butyl acetate | Butoxyl [UN2708] [Flammable liquid] |
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
USA
독일 (EU)*
Price
Qty
25ml
M118697-25ml
1 재고 있음
—
US$9.90
100ml
M118697-100ml
2 재고 있음
—
US$17.90
500ml
M118697-500ml
2 재고 있음
—
US$51.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
3-Methoxybutyl acetate, AldrichCPR | 4-02-00-00222 (Beilstein Handbook Reference) | QMYGFTJCQFEDST-UHFFFAOYSA-N | 3-METHOXYBUTYL ACETATE | Acetic Acid 3-Methoxybutyl Ester | SCHEMBL36334 | 3-methoxy-n-butyl acetate | Butoxyl [UN2708] [Flammable liquid] |
사양 및 순도
≥99%
보관 조건
Room temperature
배송
FedEx DG Service
참고
M118697
순수함
≥99%
이름과 식별자
Pubchem Sid528759082
정식 스마일CC(CCOC(=O)C)OC
IUPAC Name3-methoxybutyl acetate
InChIKeyQMYGFTJCQFEDST-UHFFFAOYSA-N
INCHI1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
이성체 SMILES CC(CCOC(=O)C)OC
RTECS EL4725000
UN 번호 1993
포장 그룹 I
분자량 146.18
Reaxy-Rn 1749312
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749312&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
SuperclassOrganic acids and derivatives
분류Carboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentCarboxylic acid esters
Alternative Parents Monocarboxylic acids and derivatives  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
설명This 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
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

6 results found

Lot NumberCertificate Type날짜항목
A2213407Certificate of AnalysisOct 21, 2025 M118697
A2213652Certificate of AnalysisOct 21, 2025 M118697
F1206010Certificate of AnalysisMar 08, 2024 M118697
G1917160Certificate of AnalysisMay 08, 2023 M118697
A2213654Certificate of AnalysisFeb 21, 2022 M118697
A2213653Certificate of AnalysisFeb 12, 2022 M118697
화학 및 물리적 특성
용해성Solubility in water: Practically Insoluble; Degree of Solubility in water: 4,600 mg/l 20 °C
굴절률1.41
발화점(°F)60℃
발화점(°C)60℃
끓는점(°C)173°C
분자량146.180 g/mol
XLogP30.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass146.094 Da
Monoisotopic Mass146.094 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity101.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
참고 문헌
1. Shiliang Wu, Hongfei Bie, Xin Zhou, André L. Boehman.  (2024)  The influence of carbon chain length and branch chain effect on the low-temperature combustion characteristics of bio-based ether-ester double functional group fuel.  FUEL,      [PMID:] [10.1016/j.fuel.2024.133450]
2. Xin Zhiqiang, Bie Hongfei, Zhou Xin, Xiao Rui, Wu Shiliang.  (2026)  Low-Temperature Combustion of n-Heptane Blended with Biobased Oxygenated Fuel.  ENERGY & FUELS,  40  (31): (17210-17224).  [PMID:] [10.1021/acs.energyfuels.6c02759]
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