Allyl acetoacetate - ≥95% , CAS No.1118-84-9

CAS: 1118-84-9 Cat. No.: A298696 분자식: C7H10O3 분자량: 142.15 Beilstein Registry Number: 1758569 EC 번호: 214-269-9
주문 가능
GRADE & PURITY ≥95%
Synonyms
BBL011433 | EINECS 214-269-9 | STL146541 | Allyl acetoacetate, 98% | Allyl 3-oxobutanoate # | Allyl acetoacetate | allyl aceto-acetate | J-002655 | 8HX066J62P | 2-chromanone | MFCD00009811 | NSC24280 | NSC-24280 | Acetoacetic acid, allyl ester | Allylacet
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
25ml
A298696-25ml
4 재고 있음
—
US$15.90
100ml
A298696-100ml
1 재고 있음
—
US$54.90
500ml
A298696-500ml
2 재고 있음
1 재고 있음
US$244.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥95% 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
BBL011433 | EINECS 214-269-9 | STL146541 | Allyl acetoacetate, 98% | Allyl 3-oxobutanoate # | Allyl acetoacetate | allyl aceto-acetate | J-002655 | 8HX066J62P | 2-chromanone | MFCD00009811 | NSC24280 | NSC-24280 | Acetoacetic acid, allyl ester | Allylacet
사양 및 순도
≥95%
보관 조건
Room temperature
배송
Normal
순수함
≥95%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504754556
정식 스마일
CC(=O)CC(=O)OCC=C
IUPAC Name
prop-2-enyl 3-oxobutanoate
InChIKey
AXLMPTNTPOWPLT-UHFFFAOYSA-N
INCHI
1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
이성체 SMILES
CC(=O)CC(=O)OCC=C
UN 번호
2810
포장 그룹
III
분자량
142.15
Beilstein
1758569
Reaxy-Rn
1758569
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758569&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
분류Keto acids and derivatives
SubclassBeta-keto acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBeta-keto acids and derivatives
Alternative Parents Fatty acid esters  1,3-dicarbonyl compounds  Ketones  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
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.

11 results found

Lot NumberCertificate Type날짜항목
H2618070Certificate of AnalysisAug 06, 2026 A298696
H2618071Certificate of AnalysisAug 06, 2026 A298696
H2618072Certificate of AnalysisAug 06, 2026 A298696
I2511163Certificate of AnalysisSep 19, 2025 A298696
I2511221Certificate of AnalysisSep 19, 2025 A298696
I2511294Certificate of AnalysisSep 19, 2025 A298696
I2409457Certificate of AnalysisSep 18, 2024 A298696
I2409458Certificate of AnalysisSep 18, 2024 A298696
G2215035Certificate of AnalysisApr 15, 2024 A298696
G2215041Certificate of AnalysisApr 15, 2024 A298696
G2215074Certificate of AnalysisApr 15, 2024 A298696
화학 및 물리적 특성
감도Air Sensitive
굴절률1.439
발화점(°F)67°C
발화점(°C)152.6℉
끓는점(°C)194-195°C
녹는점(°C)-85 °C
분자량142.150 g/mol
XLogP30.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass142.063 Da
Monoisotopic Mass142.063 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count10
Formal Charge0
Complexity149.000
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
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