Basic information
- Name:
Inositol
- CAS No.:
87-89-8
- Molecular Structure:
- Formula:
- C6H12O6
- Molecular Weight:
- 180.16
- Deleted CAS:
- 53319-35-0
- Synonyms:
- Meat sugar;myo-Inositol;Inositol NF12;INOSITIOL;Inositol, myo-;1,2,3,4,5,6-cyclohexanehexol, (1alpha,2alpha,3alpha,4beta,5alpha,6beta);1D-myo-Inositol;Myoinosite;1L-myo-Inositol;Inositene;Nucite;myo-inositols;Mesoinosite;Inositina;L-myo-Inositol;Phaseomannitol;benzene-1,2,3,4,5,6-hexol;(1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol;Dambose;meso-Inositol;Mesoinositol;Inositol (VAN);D-myo-Inositol;Iso-inositol;Isoinositol;Insitolum;cyclohexane-1,2,3,4,5,6-hexol;Mesoinosit;Bios I;cis-1,2,3,5-trans-4,6-Cyclohexanehexol;Mesol;1,2,3,5/4,6-cyclohexanehexol;1,2,3,5-trans-4,6-Cyclohexanehexol, cis-;Inositol, myo- (8CI);Hexahydroxycyclohexane;1,2,3,5/4, 6-Cyclohexanehexol;
- 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 Description:
- 22-24/25 Details
- particular:
- particular
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Chemistry
Molecule structure of Inositol (CAS NO.87-89-8):
IUPAC Name: Cyclohexane-1,2,3,4,5,6-hexol
Molecular Weight: 180.15588 g/mol
Molecular Formula: C6H12O6
Density: 2.039 g/cm3
Melting Point: 222-227 °C(lit.)
Boiling Point: 291.326 °C at 760 mmHg
Flash Point: 143.387 °C
Index of Refraction: 1.784
Molar Refractivity: 37.213 cm3
Molar Volume: 88.375 cm3
Surface Tension: 101.602 dyne/cm
Enthalpy of Vaporization: 61.583 kJ/mol
Storage Temp.: store at RT.
Water Solubility: 14 g/100 mL (25 °C)
Stability: stable. combustible. incompatible with strong oxidizing agents.
XLogP3-AA: -3.7
H-Bond Donor: 6
H-Bond Acceptor: 6
Exact Mass: 180.063388
MonoIsotopic Mass: 180.063388
Topological Polar Surface Area: 121
Heavy Atom Count: 12
Canonical SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
InChI: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKey: CDAISMWEOUEBRE-UHFFFAOYSA-N
EINECS: 201-781-2
Product Categories: MI;RECI;PHARMACEUTICALS;Food & Feed ADDITIVES;Miscellaneous;Biochemistry;Sugar Alcohols;Sugars;Vitamin Related Compounds;Vitamins;Nutritional fortification substances
Uses
Inositol (CAS NO.87-89-8) is used as food reinforcement. It ia also used as biochemical reagents. Inositol can be used in the pharmaceutical and organic synthesis.
Production
Inositol (CAS NO.87-89-8) 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.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | 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, |
Safety Profile
Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 2
RTECS: NM7520800
HS Code: 29061390
When heated to decomposition it emits acrid smoke and irritating fumes.
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) ; Inositol, i- ; Inositol, meso- ; Inositol, myo- ; Insitolum ; Iso-inositol ; Isoinositol ; Meat sugar ; Mesoinosit ; Mesoinosite ; Mesoinositol ; Mesol ; Mesovit ; Myoinosite ; Myoinositol ; NSC 404118 ; NSC 8101 ; Nucite ; Phaseomannite ; Phaseomannitol ; Scyllite ; UNII-4L6452S749 ; i-Inositol ; meso-Inositol . It is white powder. 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 .