Inositol supplier | CasNO.87-89-8

Name
Inositol
EINECS 201-781-2
CAS No. 87-89-8
Article Data97
CAS DataBase
Density 2.039 g/cm³
Solubility 4 g/100 mL (25 °C) in water
Melting Point 222-227 °C(lit.)
Formula C₆H₁₂O₆
Boiling Point 291.326 °C at 760 mmHg
Molecular Weight 180.158
Flash Point 143.387 °C
Transport Information
Appearance white powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 121.38000
LogP -3.83460

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

: 145107-29-5
(+)-Conduritol E epoxide

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

B: 643-10-7
allo-inositol

Conditions

Conditions	Yield
With barium dihydroxide

: 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

: 22350-68-1
(1R)-1-L-O-methyl-myo-inositol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With hydrogen iodide In water for 1h; Heating;	0.1 g
With water Reflux;

: 93712-94-8
D-Myo-inositol-1-monophosphate

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
In water at 40℃; rice bran acid phosphatase, 0.2 M acetate buffer;

: 93712-94-8
Myo-inositol-2-monophosphate

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
In water at 40℃; rice bran acid phosphatase, 0.2 M acetate buffer;

: 93712-94-8
L-Myo-inositol-3-monophosphate

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
In water at 40℃; rice bran acid phosphatase, 0.2 M acetate buffer;

: 50474-02-7
1,2:4,5-Dianhydro-cis-inosit

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

B: 488-55-1
muco-inositol

Conditions

Conditions	Yield
With sulfuric acid for 3h; Heating;	A 14 % Spectr. B 86 % Spectr.

: 50473-95-5, 50473-98-8, 50473-99-9, 50474-02-7, 50474-08-3
1,2:4,5-Dianhydro-muco-inosit

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

B: 488-55-1
muco-inositol

C: 488-59-5
myo-inositol

: 18685-70-6
chiro-inositol

Conditions

Conditions	Yield
With sulfuric acid for 3h; Heating;	A 0.5 % Spectr. B 80 % Spectr. C 0.5 % Spectr. D 19 % Spectr.

...Expand

: 139013-60-8
(1S,2R,3R,4R)-3,4-O-Isopropylidenecyclohex-5-ene-1,2,3,4-tetraol

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

B: 488-55-1
muco-inositol

Conditions

Conditions	Yield
With sulfuric acid; 3-chloro-benzenecarboperoxoic acid 1.) CH2Cl2; Yield given. Multistep reaction. Yields of byproduct given;

: 2831-74-5
D-myo-inositol-3-phosphate

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With pAD1.88A; phosphatse from Escherichia coli JWF1

: 145107-29-5
(+)-Conduritol E epoxide

aqueous barium hydroxide: aqueous barium hydroxide

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

B: 643-10-7
allo-inositol

Conditions

Conditions	Yield
at 100℃;

...Expand

2.3.5.6-tetrahydroxy-benzoquinone-(1.4): 2.3.5.6-tetrahydroxy-benzoquinone-(1.4)

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With water; palladium at 20℃; Hydrogenation;
With palladium on activated charcoal; water at 20℃; Hydrogenation;

levorotatory mesoinositol-tetraphosphoric acid: levorotatory mesoinositol-tetraphosphoric acid

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With water at 130℃;
With sulfuric acid at 130℃;

phytic acid: phytic acid

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With phytase

phytin: phytin

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With mineral acid
With phytase
With water
With phytase
With sulfuric acid Hydrolysis;

: 488-64-2
myo-2-inosose

: 7732-18-5
water

platinum: platinum

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
Hydrogenation;

...Expand

salt of/the/ phytic acid: salt of/the/ phytic acid

: 87-89-8
D-myo-inositol

tethelin: tethelin

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
Hydrolysis;

(+)-ribo-inosose: (+)-ribo-inosose

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

Conditions

Conditions	Yield
With water; platinum Hydrogenation;

: 87-89-8
D-myo-inositol

: 98-80-6
phenylboronic acid

: 69814-44-4
rac-1:2,3:5,4:6-O1:O2,O3:O5,O4:O6-tris(phenylboronato)-myo-inositol

Conditions

Conditions	Yield
at 95℃; for 1h;	100%

: 87-89-8
D-myo-inositol

: 108-94-1
cyclohexanone

: 6763-47-9
rac-1,2-O-cyclohexylidene-myo-inositol

Conditions

Conditions	Yield
Stage #1: D-myo-inositol; cyclohexanone With toluene-4-sulfonic acid In N,N-dimethyl-formamide; toluene at 122 - 136℃; for 10h; Condensation; Stage #2: With ethanol; toluene-4-sulfonic acid at 20℃; for 48h; alcoholysis;	98%
With toluene-4-sulfonic acid	97%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide; toluene for 9h; Heating;	93%

: 87-89-8
D-myo-inositol

: 77-76-9
2,2-dimethoxy-propane

: 128387-20-2
L-1,2-O-isopropylidene-myo-inositol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dimethyl sulfoxide	98%

: 87-89-8
D-myo-inositol

: 108-24-7
acetic anhydride

: 1254-38-2
inositol peracetate

Conditions

Conditions	Yield
With copper(II) perchlorate hexahydrate In neat (no solvent) at 20℃; for 0.166667h; Inert atmosphere;	95%
iron(III) chloride at 28 - 32℃; for 0.166667h;	86%
With zinc(II) chloride

: 87-89-8
D-myo-inositol

: 112-13-0
n-decanoyl chloride

: Hexa-O-decanoyl-myo-inosit

Conditions

Conditions	Yield
With trifluoroacetic acid for 15h; Ambient temperature;	95%

: 87-89-8
D-myo-inositol

: 98-88-4
benzoyl chloride

: 78-39-7
Triethyl orthoacetate

: 2,4,6-tri-O-benzoyl-myo-inosityl 1,3,5-orthoacetate

Conditions

Conditions	Yield
Stage #1: D-myo-inositol; Triethyl orthoacetate With toluene-4-sulfonic acid In N,N-dimethyl-formamide for 8h; Heating; Stage #2: benzoyl chloride In pyridine at 20℃;	95%

...Expand

: 87-89-8
D-myo-inositol

: 98-88-4
benzoyl chloride

: 162062-52-4
1,3-di-O-benzoyl-myo-inositol

Conditions

Conditions	Yield
With triethylamine; lithium chloride In N,N-dimethyl acetamide at -10℃; for 4h; regioselective reaction;	95%
Stage #1: D-myo-inositol; benzoyl chloride With triethylamine; lithium chloride In N,N-dimethyl acetamide at -10℃; for 4h; Stage #2: With pyridine; chloro-trimethyl-silane In N,N-dimethyl acetamide at 0℃; for 5h; Stage #3: With trifluoroacetic acid In methanol; chloroform at 20℃; for 4h;	95%

: 87-89-8
D-myo-inositol

: 123-62-6
propionic acid anhydride

: 5776-50-1
Hexakispropionylmyoinositol

Conditions

Conditions	Yield
With Cl(1-)C5H14NO(1+)3ZnCl2 In neat (no solvent) at 20℃; for 2h; Green chemistry;	95%

: 1445-45-0
Trimethyl orthoacetate

: 87-89-8
D-myo-inositol

: 106-95-6
allyl bromide

: C18H30O9

Conditions

Conditions	Yield
Stage #1: Trimethyl orthoacetate; D-myo-inositol With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 100℃; for 2h; Stage #2: allyl bromide With sodium hydride In N,N-dimethyl-formamide at 20℃; for 3h; Further stages;	95%

...Expand

: 87-89-8
D-myo-inositol

: 98-88-4
benzoyl chloride

: 122-51-0
orthoformic acid triethyl ester

: (1R,3s,5r,6R,7S,8s,9S)-2,4,10-trioxaadamantane-6,8,9-triyl tribenzoate

Conditions

Conditions	Yield
Stage #1: D-myo-inositol; orthoformic acid triethyl ester With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 100℃; Stage #2: benzoyl chloride In pyridine at 20℃;	94%

...Expand

: 87-89-8
D-myo-inositol

: 707-07-3
orthobenzoic acid trimethyl ester

: C13H14O6

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In dimethyl sulfoxide Inert atmosphere;	94%
With toluene-4-sulfonic acid In dimethyl sulfoxide at 100℃; for 5h; Inert atmosphere;

: 87-89-8
D-myo-inositol

: 67-68-5
dimethyl sulfoxide

: C11H16O8

Conditions

Conditions	Yield
With trichlorophosphate at 65℃; for 0.5h;	92%

: 87-89-8
D-myo-inositol

: 97419-16-4
1,1,1-Trimethoxy-2,2-dimethyl-propane

: 3-tert-Butyl-2,4,10-trioxa-tricyclo[3.3.1.13,7]decane-6,8,9-triol

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In dimethyl sulfoxide at 60℃; for 15h;	91%

: 87-89-8
D-myo-inositol

: 149-73-5
trimethyl orthoformate

: myo-inosytol 1,3,5-orthoformate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide Inert atmosphere;	91%
toluene-4-sulfonic acid In DMF (N,N-dimethyl-formamide) at 120℃; for 7h;

: 1445-45-0
Trimethyl orthoacetate

: 87-89-8
D-myo-inositol

: myo-inositol 1,3,5-orthoacetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 90 - 100℃;	91%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 100℃; for 10h;	10%

: 87-89-8
D-myo-inositol

: 122-51-0
orthoformic acid triethyl ester

: 98510-20-4
myo-Inositol orthoformate

Conditions

Conditions	Yield
With Amberlyst 15 In N,N-dimethyl-formamide at 100℃; for 3h;	90%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide	89%
With o-toluenesulfonic acid In N,N-dimethyl-formamide at 100℃; for 16h;	84%

: 87-89-8
D-myo-inositol

: 79-30-1
isobutyryl chloride

: 32077-77-3
Hexakisisobutyrylmyoinositol

Conditions

Conditions	Yield
With pyridine; dmap at 80 - 85℃; for 1h;	90%

: 87-89-8
D-myo-inositol

: 707-07-3
orthobenzoic acid trimethyl ester

: myo-inositol 1,3,5-orthobenzoate

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In dimethyl sulfoxide at 80℃; under 22.5023 - 30.003 Torr; for 3h;	90%
With camphor-10-sulfonic acid In dimethyl sulfoxide at 80℃; for 5h;	84%
With H2SO4 supported on silica In dimethyl sulfoxide at 60℃; under 300.03 Torr; for 0.5h; Inert atmosphere; Green chemistry;	83%

: 87-89-8
D-myo-inositol

: 108-24-7
acetic anhydride

: 1431370-12-5
1,3-di-O-acetyl-myo-inositol

Conditions

Conditions	Yield
With dibutyltin diacetate; triethylamine; lithium chloride In N,N-dimethyl acetamide at -10℃; for 2h;	90%

: 1189-71-5
isocyanate de chlorosulfonyle

: 87-89-8
D-myo-inositol

: myo-inositol hexacarbamate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 1.5h; Cooling with ice;	90%

: 87-89-8
D-myo-inositol

: 122-51-0
orthoformic acid triethyl ester

: myo-inositol-1,3,5-O-orthoformate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 100℃; for 24h;	89%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 140℃; for 3h;	87%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 110℃; for 28h; Inert atmosphere;	83%

: 87-89-8
D-myo-inositol

: 149-73-5
trimethyl orthoformate

: 98510-20-4
myo-Inositol orthoformate

Conditions

Conditions	Yield
With TSA In N,N-dimethyl-formamide at 110℃; for 5h;	89%
In N,N-dimethyl-formamide	70%
With toluene-4-sulfonic acid In N,N-dimethyl-formamide at 99.9℃; for 3h;

: 87-89-8
D-myo-inositol

: 58479-61-1
tert-butylchlorodiphenylsilane

: 1196789-46-4
1,3-di-O-tert-butyldiphenylsilyl-myo-inositol

Conditions

Conditions	Yield
With pyridine In dimethyl sulfoxide at 20℃; for 72h; regioselective reaction;	89%
With pyridine In dimethyl sulfoxide at 20℃; for 72h;	89%

: 87-89-8
D-myo-inositol

: 69304-37-6
1,3-Dichloro-1,1,3,3-tetraisopropyldisiloxane

: 123270-13-3
1,6:3,4-bis-O-(tetraisopropyldisiloxane-1,3-diyl)-myo-inositol

Conditions

Conditions	Yield
With pyridine In dimethyl sulfoxide at 20℃; for 20h; regioselective reaction;	88%
With pyridine In dimethyl sulfoxide at 20℃; for 20h;	88%
With pyridine Ambient temperature;	66%

: 87-89-8
D-myo-inositol

: 3282-30-2
pivaloyl chloride

: 1196789-44-2
1,3-di-O-pivaloyl-myo-inositol

Conditions

Conditions	Yield
With triethylamine; lithium chloride In N,N-dimethyl acetamide at 0℃; for 10h; regioselective reaction;	88%
With triethylamine; lithium chloride In N,N-dimethyl acetamide at 0℃; for 10h;	88%

Inositol 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,

Product Name

Inositol

Synthetic route

Inositol Specification

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