CAS No.87-89-8,Inositol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	87-89-8
Name:	Inositol
Article Data:	97
Cas Database

Formula:	C₆H₁₂O₆
Molecular Weight:	180.158
Synonyms:	INOSITE; (1R,2r,3S,4R,5s,6S)-cyclohexane-1,2,3,4,5,6-hexaol; nositol; myo-Inositol; cis-1,2,3,5-trans-4,6-Cyclohexanehexol; meso-inositol; Inosital; bios I; INS; Nucite; 2-(PROPYLAMINO)-M-PROPIONOTOLUIDIDE HYDROCHLORIDE; Dambose; Mesol; Mesovit; 查看更多英文别名收起
EINECS:	201-781-2
Density:	2.039 g/cm³
Melting Point:	222-227 °C(lit.)
Boiling Point:	291.326 °C at 760 mmHg
Flash Point:	143.387 °C
Solubility:	4 g/100 mL (25 °C) in water
Appearance:	white powder
Safety:	22-24/25
PSA:	121.38000
LogP:	-3.83460

Related products

Synthetic route

: 51548-88-0, 96039-15-5, 98974-89-1, 128110-25-8
(+/-)-1,2:4,5-di-O-isopropylidene-myo-inositol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
palladium dihydroxide In methanol for 88h; Heating;	97%

: 2,4,6-tri-O-benzyl-1,3,5-O-orthoformate-D-myo-inositol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
palladium dihydroxide In methanol for 72h; Heating;	96%
With Pd(OH)2/C In methanol for 72h; Reflux;

: (±)-2,3:5,6-di-O-isopropylidene-1,4-di-O-benzyl-myo-inositol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
palladium dihydroxide In methanol for 22h; Heating;	95%

: 1D-1-O-Acetyl-myo-inositol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With sodium methylate In methanol at 70℃; for 3h; Deacetylation;	94%

: 2-O-tert-butyldimethyl-myo-inositol 4,6-carbonate 1,3,5-orthoformate

A: 87-89-8
D-myo-inositol

B: myo-inositol 4,6-carbonate

Conditions

Conditions	Yield
With water; trifluoroacetic acid at 65 - 70℃;	A n/a B 83%

: 2-O-(tert-butyldimethylsilyl)-4,6-O-methylene-myo-inositol 1,3,5-orthoformate

A: 87-89-8
D-myo-inositol

B: 1259936-03-2
4,6-O-methylene-myo-inositol

Conditions

Conditions	Yield
With methanol; toluene-4-sulfonic acid In chloroform at 40℃; for 48h;	A n/a B 74%

: 15421-51-9
myo-inositol 1-phosphate

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With alkaline phosphatase type III from Escherichia coli In various solvent(s) at 25℃; for 16h; pH=8.0; Substitution;	63.6%

: 1254-38-2
inositol peracetate

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With hydrogenchloride
With sodium methylate In methanol for 2h;

: 608-80-0
benzenehexol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With water; hydrogen; palladium at 50 - 55℃;
With ethanol; nickel at 125℃; under 95616 Torr; Hydrogenation;
With water; palladium at 20℃; Hydrogenation.sowie bei 55grad;

: 523-92-2
sequoyitol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With hydrogen iodide
With hydrogen iodide Heating;	0.08 g

Raw Materials

64-17-5

523-92-2

608-80-0

Downstream Products

488-59-5

71-43-2

98-01-1

488-86-8

64-18-6

87-73-0

319-89-1

98510-20-4

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Specification

Inositol(CAS NO.87-89-8) is also named as 1,2,3,5-trans-4,6-Cyclohexanehexol, cis-; AI3-16111; CCRIS 6745; Dambose; Inosital; Inositene; Inositina; Inositol (VAN). It is white powder. Inositol or cyclohexane-1,2,3,4,5,6-hexol is a chemical compound with formula C₆H₁₂O₆or (-CHOH-)6, a sixfold alcohol (polyol) of cyclohexane. It is almost tasteless, with a small amount of sweetness. It is soluble in water, slightly soluble in ethanol, acetic acid, ethylene glycol and glycerin, insoluble in ether, acetone and chloroform.

Physical properties about Inositol are: (1)ACD/LogP: -3.861; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.86; (4)ACD/LogD (pH 7.4): -3.86; (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: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.784; (13)Molar Refractivity: 37.213 cm³; (14)Molar Volume: 88.375 cm³; (15)Polarizability: 14.752 10-24cm³; (16)Surface Tension: 101.601997375488 dyne/cm; (17)Density: 2.039 g/cm³; (18)Flash Point: 143.387 °C; (19)Enthalpy of Vaporization: 61.583 kJ/mol; (20)Boiling Point: 291.326 °C at 760 mmHg

Preparation of Inositol: Inositol is produced from glucose-6-phosphate (G-6-P) in two steps. First, G-6-P is isomerised by ISYNA1 to inositol 1-phosphate; then it is dephosphorylated by IMPase 1 to give free Inositol . In humans most inositol is synthesized in the kidneys, in typical amounts of a few grams per day.

Uses of Inositol: Inositol has been used as an adulterant (or cutting agent) in many illegal drugs, such as cocaine, methamphetamine, and sometimes heroin.[citation needed] It is presumed that this use is connected with one or more of the substance's properties of solubility, powdery texture, or reduced sweetness (50%) as compared with more common sugars. Inositol is also used as a stand-in for cocaine on television.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-; S27:Take off immediately all contaminated clothing.
(2)InChIKey=CDAISMWEOUEBRE-GPIVLXJGSA-N;
(3)Smiles[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	oral	10gm/kg (10000mg/kg)	Toksikologicheskii Vestnik. Vol. (2), Pg. 25, 1994.
rat	LD50	intraperitoneal	> 3gm/kg (3000mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #92-9328,
rat	LD50	intravenous	> 750mg/kg (750mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #92-9328,