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| CAS No.: | 9047-50-1 |
|---|---|
| Name: | DIALDEHYDE STARCH |
| Molecular Structure: | |
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| Formula: | C9H16O4 |
| Molecular Weight: | 188.2209 |
| Synonyms: | 2,3-Dialdehydestarch;2,3-Dialdehydostarch;Caldas 10;Caldas 5;Caldas 5H;Caldas 5S;CaldasC 5;Caldas C 5GP;Caldas C 5GT;Caldas No. 5;DAS 100;Dialdehyde starch;Dialdehydostarch;Formamyl;Periodate starch;Polyaldehyde starch;Starchdialdehyde;Sumstar;Sumstar 150;Sumstar 190; |
| Density: | 1.065 g/cm3 |
| Boiling Point: | 304.1 ºC at 760 mmHg |
| Flash Point: | 115.5 ºC |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 66.51000 |
| LogP: | 5.57820 |
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Specification
The Starch,2,3-dialdehydo, with the CAS registry number 9047-50-1, is also known as 3,4-Dideoxy-2-O-methyl-4-(1-oxopropan-2-yl)pentose. This chemical's molecular formula is C9H16O4 and molecular weight is 188.2209. What's more, its IUPAC name is called 3-(Hydroxymethyl)-5-methoxy-2-methylhexanedial. The classification code is TSCA Flag XU [Exempt from reporting under the Inventory Update Rule].
Physical properties about Starch,2,3-dialdehydo are: (1) ACD/LogP: -0.58; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.58; (4) ACD/LogD (pH 7.4): -0.58; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 11.57; (8) ACD/KOC (pH 7.4): 11.57; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 8; (12) Polar Surface Area: 52.6 Å2; (13) Index of Refraction: 1.447; (14) Molar Refractivity: 47.27 cm3; (15) Molar Volume: 176.7 cm3; (16) Surface Tension: 37.2 dyne/cm; (17) Density: 1.065 g/cm3; (18) Flash Point: 115.5 °C; (19) Enthalpy of Vaporization: 63.15 kJ/mol; (20) Boiling Point: 304.1 °C at 760 mmHg; (21) Vapour Pressure: 8.49E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=CC(OC)CC(CO)C(C=O)C
(2) InChI: InChI=1/C9H16O4/c1-7(4-10)8(5-11)3-9(6-12)13-2/h4,6-9,11H,3,5H2,1-2H3
(3) InChIKey: KQUJSKXEWCWUGU-UHFFFAOYAJ