1,4-Anhydro-D-mannitol supplier

Name
1,4-Anhydro-D-mannitol
EINECS
CAS No. 7726-97-8
Article Data76
CAS DataBase
Density 1.573 g/cm³
Solubility
Melting Point 144-146°C
Formula C₆H₁₂O₅
Boiling Point 442.547 °C at 760 mmHg
Molecular Weight 164.158
Flash Point 221.445 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Mannitan;
PSA 90.15000
LogP -2.53980

1,4-Anhydro-D-mannitol Specification

The 1,4-Anhydro-D-mannitol has CAS registry number 7726-97-8. This chemical's molecular formula is C₆H₁₂O₅ and molecular weight is 164.16. What's more, its systematic name is (2R)-2-(1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol.

Physical properties of 1,4-Anhydro-D-mannitol are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.114; (5)ACD/KOC (pH 7.4): 1.114; (6)#H bond acceptors: 5 #H ; (7)bond donors: 4; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 90.15 Å²; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 35.535 cm³; (12)Molar Volume: 104.348 cm³; (13)Polarizability: 14.087×10^-24cm³; (14)Surface Tension: 89.474 dyne/cm; (15)Density: 1.573 g/cm³; (16)Flash Point: 221.445 °C; (17)Enthalpy of Vaporization: 80.791 kJ/mol; (18)Boiling Point: 442.547 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C(C([C@H](O1)C(CO)O)O)O
(2)Std. InChI: InChI=1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3?,4?,5?,6-/m1/s1
(3)Std. InChIKey: JNYAEWCLZODPBN-LTQQEKPISA-N

Product Name

1,4-Anhydro-D-mannitol

1,4-Anhydro-D-mannitol Specification

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