Calcium benzoate - ≥97% , CAS No.2090-05-3

CAS: 2090-05-3 Cat. No.: C333116 분자식: (C6H5CO2)2Ca•xH2O 분자량: 282.32(anhydrous basis) EC 번호: 218-235-4
주문 가능
GRADE & PURITY ≥97%
Synonyms
Calcium dibenzoate | EINECS 218-235-4 | CALCIUM BENZOATE [FCC] | INS-213 | CALCIUM BENZOATE (E 213) | Benzoic acid, calcium salt (2:1) | CALCIUM BENZOATE [USP-RS] | E213 | E-213 | Q414509 | UNII-3QDE968MKD | Calcium benzoate | ?Benzoic acid calcium | 3QDE
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
25g
C333116-25g
3 재고 있음
—
US$35.90
100g
C333116-100g
2 재고 있음
—
US$111.90
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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Calcium benzoate hydrate is used in used in the food industry as a preservative.

Specifications

동의어
Calcium dibenzoate | EINECS 218-235-4 | CALCIUM BENZOATE [FCC] | INS-213 | CALCIUM BENZOATE (E 213) | Benzoic acid, calcium salt (2:1) | CALCIUM BENZOATE [USP-RS] | E213 | E-213 | Q414509 | UNII-3QDE968MKD | Calcium benzoate | ?Benzoic acid calcium | 3QDE
사양 및 순도
≥97%
보관 조건
Room temperature
배송
Normal
순수함
≥97%
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753843
정식 스마일
C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]
IUPAC Name
calcium;dibenzoate
InChIKey
NSQPPSOSXWOZNH-UHFFFAOYSA-L
INCHI
1S/2C7H6O2.Ca/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);/q;;+2/p-2
이성체 SMILES
C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]
분자량
282.32(anhydrous basis)
Reaxy-Rn
5859539
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5859539&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
SuperclassBenzenoids
분류Benzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids
Alternative Parents Benzoyl derivatives  Carboxylic acid salts  Organic calcium salts  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkNot available
Substituents Benzoic acid - Benzoyl - Carboxylic acid salt - Organic calcium salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
설명This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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.

4 results found

Lot NumberCertificate Type날짜항목
B2419751Certificate of AnalysisJan 23, 2024 C333116
B2419752Certificate of AnalysisJan 23, 2024 C333116
B2419753Certificate of AnalysisJan 23, 2024 C333116
B2419754Certificate of AnalysisJan 23, 2024 C333116
화학 및 물리적 특성
용해성Soluble in water (2.6 g/100ml at 0°C).
분자량282.300 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass282.02 Da
Monoisotopic Mass282.02 Da
Topological Polar Surface Area80.300 Ų
Heavy Atom Count19
Formal Charge0
Complexity98.000
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 Count3
Citations of This Product
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