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Levulinic acid calcium salt dihydrate structure, CAS 5743-49-7

Levulinic acid calcium salt dihydrate

CAS Number5743-49-7

SynonymsCalcium bis(4-oxopentanoate); calcium levulinate; levulinic acid calcium salt dihydrate; Pentanoic acid, 4-oxo-, calcium salt (2:1)

Molecular FormulaCH3COCH2CH2COO · 1/2Ca · H2O

Molecular Weight153.16

Purity98%

Density

Boiling Point242.9ºC at 760 mmHg

Melting Point121.0 to 125.0 °C

Flash Point

AppearanceWhite - very light yellow crystals - powder

EINECS

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Cat. No.: 2A-9011177 Purity: 98%
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Quality Control of [ 5743-49-7 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number5743-49-7
Catalog No.2A-9011177
Chinese Name乙酰丙酸钙二水合物
SynonymsCalcium bis(4-oxopentanoate); calcium levulinate; levulinic acid calcium salt dihydrate; Pentanoic acid, 4-oxo-, calcium salt (2:1)
Molecular FormulaCH3COCH2CH2COO · 1/2Ca · H2O
Molecular Weight153.16
Purity98
Boiling Point242.9ºC at 760 mmHg
Melting Point121.0 to 125.0 °C
AppearanceWhite - very light yellow crystals - powder
Water SolubilityFreely soluble in water, very slightly soluble in
Storage ConditionRoom temperature, dry
MDL NumberMFCD00211352
SMILESO.CC(=O)CCC(=O)O[Ca]OC(=O)CCC(C)=O
InChI1S/2C5H8O3.Ca.H2O/c2*1-4(6)2-3-5(7)8;;/h2*2-3H2,1H3,(H,7,8);;1H2/q;;+2;/p-2
InChI KeyVPHDLUWYYKTYFR-UHFFFAOYSA-L
Beilstein/REAXYS3764203
NACRES CodeNA.24
UNSPSC41116107
Hazard SymbolsTransport
MSDSmsds/11177_1_5743_49_7.pdf
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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