CAS No.10284-63-6,D-Pinitol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	10284-63-6
Name:	D-Pinitol
Article Data:	22

Formula:	C₇H₁₄O₆
Molecular Weight:	194.185
Synonyms:	Inositol,3-O-methyl-, D-chiro- (8CI);Pinitol, (+)- (6CI,7CI);(+)-Pinitol;3-O-Methyl-(+)-chiro-inositol;3-O-Methyl-D-chiro-inositol;D-(+)-Pinitol;D-3-O-Methyl-chiro-inositol;Inzitol;Matezit;Pinit;Pinite(inositol derivative);Pinitol B;Sennit;Sennitol;
EINECS:	1312995-182-4
Density:	1.56 g/cm³
Melting Point:	179-185 °C
Boiling Point:	317.2 °C at 760 mmHg
Flash Point:	145.6 °C
Solubility:	Soluble in water.
Appearance:	white powder
Hazard Symbols:	C,F
Risk Codes:	11-34
Safety:	16-24/25-26-45-36/37/39
PSA:	110.38000
LogP:	-3.18050

Synthetic route

: 130792-46-0
(1R,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-di-O-isopropylidene-1-O-methylcyclohexane

: 10284-63-6
pinitol

Conditions

Conditions	Yield
With hydrogenchloride In water; acetone for 0.5h; Ambient temperature;	100%
With hydrogenchloride In water; acetone

: 124647-09-2, 124751-79-7
(1L-1,2-di-O-benzoyl-4-O-methyl-chiro-inosityloxy)-(l)-menthoxyacetate

: 10284-63-6
pinitol

Conditions

Conditions	Yield
With water; triethylamine In methanol for 68h; Ambient temperature;	100%

: 1044736-09-5
3,5-di-O-benzyl-D-pinitol

: 10284-63-6
pinitol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol	100%

: 1195550-95-8
(3aR,4S,5R,7aS)-5-methoxy-2,2-dimethyl-3a,4,5,7a-tetrahydrobenzo[d][1,3]dioxol-4-ol

: 10284-63-6
pinitol

Conditions

Conditions	Yield
With osmium(VIII) oxide; 4-methylmorpholine N-oxide In tetrahydrofuran; water; acetone at 20℃; for 24h; Inert atmosphere; Reflux;	84%

: 186388-12-5
(1R,2S,3R,4S,5R,6S)-5,6-Bis-benzyloxy-3-methoxy-cyclohexane-1,2,4-triol

: 10284-63-6
pinitol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol for 24h;	69%

: 67-56-1
methanol

: 125164-85-4
(1R,2S,3R,4S,5R,6S)-3,4-Bis-(tert-butyl-dimethyl-silanyloxy)-7-oxa-bicyclo[4.1.0]heptane-2,5-diol

: 10284-63-6
pinitol

Conditions

Conditions	Yield
With trifluoroacetic acid In methanol	60%

: 87-89-8
D-myo-inositol

A: 488-54-0, 488-55-1, 488-58-4, 488-59-5, 551-72-4, 576-63-6, 643-10-7, 643-12-9, 6917-35-7, 18685-70-6, 38876-99-2, 39907-99-8, 40461-73-2, 41546-32-1, 41546-33-2, 41546-34-3, 41546-35-4, 41546-36-5, 87-89-8
D-chiro-inositol

B: 6090-97-7
(1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol

C: 10284-63-6
pinitol

D: D-galacturonic acid

Conditions

Conditions	Yield
In water for 48h; Product distribution; biosynthesis with Simmondsia chinensis, various time;

...Expand

: 6090-97-7
(1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol

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

B: 488-54-0, 488-55-1, 488-58-4, 488-59-5, 551-72-4, 576-63-6, 643-10-7, 643-12-9, 6917-35-7, 18685-70-6, 38876-99-2, 39907-99-8, 40461-73-2, 41546-32-1, 41546-33-2, 41546-34-3, 41546-35-4, 41546-36-5, 87-89-8
D-chiro-inositol

C: 10284-63-6
pinitol

D: D-galacturonic acid

Conditions

Conditions	Yield
In water for 48h; Product distribution; biosynthesis with Simmondsia chinensis, various time;

...Expand

: 75589-40-1, 79391-03-0, 98168-33-3
1D-5-O-(α-D-galactopyranosyl)-4-O-methyl-chiro-inositol

A: 59-23-4
D-Galactose

B: 10284-63-6
pinitol

Conditions

Conditions	Yield
With α-D-galactosidase Product distribution;

: 186382-59-2
1D-(1,2,3,4)-1,2-di-O-benzyl-4-O-methylcyclohex-5-ene-1,2,3,4-tetraol

: 10284-63-6
pinitol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: pyridine / CH2Cl2 / 0.5 h / 0 °C 2: aq. OsO4, Me3NO / acetone; 2-methyl-propan-2-ol / 48 h 3: 58 percent / benzene / 1 h / Ambient temperature 4: 91 percent / K2CO3 / methanol / 2 h / 60 °C 5: 69 percent / H2 / 10percent Pd/C / methanol / 24 h View Scheme

Raw Materials

71-43-2

67-56-1

Total:127 Page 1 of 4 1 2 3 4 Next>>

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Specification

The D-Pinitol, with the CAS registry number 10284-63-6, has the IUPAC name of (1S,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol. For being a kind of white to off-white crystals, its product categories are including Miscellaneous Natural Products.

The physical properties of this chemical are as below: (1)ACD/LogP: -2.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 110.38; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 41.691 cm³; (15)Molar Volume: 123.812 cm³; (16)Polarizability: 16.528 ×10^-24 cm³; (17)Surface Tension: 83.195 dyne/cm; (18)Density: 1.568 g/cm³; (19)Flash Point: 145.621 °C; (20)Enthalpy of Vaporization: 64.754 kJ/mol; (21)Boiling Point: 317.172 °C at 760 mmHg; (22)Exact Mass: 194.079038; (23)MonoIsotopic Mass: 194.079038; (24)Topological Polar Surface Area: 110; (25)Heavy Atom Count: 13; (26)Complexity: 158.

When you are dealing with this chemical, you should be much more cautious. For one thing, it is corrosive which may destroy living tissue on contact. For another thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.

Therefore, you should take different measures to deal with different cases. Wear suitable protective clothing, gloves and eye/face protection and then avoid contacting with skin and eyes. And if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible) and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, while storing, keep the chemical away from sources of ignition - No smoking.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: COC1C(C(C(C(C1O)O)O)O)O
(2)Isomeric SMILES: COC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O
(3)InChI: InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,-,6+,7?/m0/s1
(4)InChIKey: DSCFFEYYQKSRSV-FEPQRWDDSA-N