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99-20-7

Basic Information
CAS No.: 99-20-7
Name: TREHALOSE
Article Data: 39
Molecular Structure:
Molecular Structure of 99-20-7 (TREHALOSE)
Formula: C12H22O11
Molecular Weight: 342.3
Synonyms: Trehalose(8CI);D-Trehalose;Ergot sugar;Mycose;NSC 2093;Naturaltrehalose;O-D-Glucopyranosyl-(1 1)-D-glucopyranoside;Treha;Trehalose P;Trehaose;a,a-Trehalose;a,a'-D-Trehalose;a-D-Trehalose;a-Trehalose;a-D-Glucopyranoside, a-D-glucopyranosyl;
EINECS: 202-739-6
Density: 1.768 g/cm3
Melting Point: 203 °C
Boiling Point: 675.384 °C at 760 mmHg
Flash Point: 362.259 °C
Solubility: Soluble in water and hot ethanol, insoluble in ethyl ether
Appearance: white to off-white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 38
Safety: 37/39-26
PSA: 189.53000
LogP: -5.39720
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Specification

The D-(+)-Trehalose, with the CAS registry number 99-20-7, is also known as α,α-Trehalose. It belongs to the product categories of Basic Sugars (Mono & Oligosaccharides); Biochemistry; Disaccharides; Sugars; Natural Plant Extract; Sweeteners. Its EINECS number is 202-739-6. This chemical's molecular formula is C12H22O11 and molecular weight is 342.30. What's more, its systematic name is α-D-Glucopyranosyl α-D-glucopyranoside. This chemical should be sealed and stored in a cool, ventilated and dry place packaged with plastic bags wraped with kraft bags or woven bags. It has high water retention capabilities, and is used in food and cosmetics. It has the added advantage of being an antioxidant. Moreover, it is currently being used for a broad spectrum of applications.

Physical properties of D-(+)-Trehalose are: (1)ACD/LogP: -3.931; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.93; (4)ACD/LogD (pH 7.4): -3.93; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 189.53 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 70.805 cm3; (15)Molar Volume: 193.644 cm3; (16)Polarizability: 28.069×10-24cm3; (17)Surface Tension: 110.89 dyne/cm; (18)Density: 1.768 g/cm3; (19)Flash Point: 362.259 °C; (20)Enthalpy of Vaporization: 113.467 kJ/mol; (21)Boiling Point: 675.384 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: it was previously being manufactured through an extraction process from cultured yeast, but, since production costs were prohibitive, use was limited to only certain cosmetics and chemicals. It can be synthesised by bacteria, fungi, plants, and invertebrate animals.

Uses of D-(+)-Trehalose: it can be used to produce Octa -O-acetyl-a,a-trehalose at the ambient temperature. It will need catalyst montmorillonite K-10 with the reaction time of 16 hours. The yield is about 98%.

D-(+)-Trehalose can be used to produce Octa -O-acetyl-a,a-trehalose at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
(2)Std. InChI: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
(3)Std. InChIKey: HDTRYLNUVZCQOY-LIZSDCNHSA-N