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Inositol(CAS No. 87-89-8)

Inositol C6H12O6 (cas 87-89-8) Molecular Structure

87-89-8 Structure

Identification and Related Records

【Name】
Inositol
【CAS Registry number】
87-89-8
【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(EC#)】
201-781-2
【Molecular Formula】
C6H12O6 (Products with the same molecular formula)
【Molecular Weight】
180.16
【Inchi】
InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
【InChIKey】
CDAISMWEOUEBRE-UHFFFAOYSA-N
【Canonical SMILES】
C1(C(C(C(C(C1O)O)O)O)O)O
【MOL File】
87-89-8.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
2.039 g/cm3
【Melting Point】
220-228℃
【Boiling Point】
291.326 °C at 760 mmHg
【Flash Point】
143.387 °C
【Water】
14 g/100 mL (25℃)
【Solubilities】
14 g/100 mL (25 °C) in water
【Stability】
Stable. Combustible. Incompatible with strong oxidizing agents.
【HS Code】
29061390
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:180.15588 [g/mol]
Molecular Formula:C6H12O6
XLogP3-AA:-3.7
H-Bond Donor:6
H-Bond Acceptor:6
Rotatable Bond Count:0
Exact Mass:180.063388
MonoIsotopic Mass:180.063388
Topological Polar Surface Area:121
Heavy Atom Count:12
Formal Charge:0
Complexity:104
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:6
Feature 3D Ring Count:1
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.4
CID Conformer Count:3

Safety and Handling

【Safety Statements 】
S24/25
【Safety】

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.

【Transport】
50kgs
【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 .

Use and Manufacturing

【Usage】

Antidepressent.

Biomedical Effects and Toxicity

【Pharmacological Action】
- A group of water-soluble vitamins, some of which are COENZYMES.

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-1732-7098554
Diamond member Hangzhou Dayangchem Co., Ltd.
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Telephone:86-571-88938639
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Diamond member Wuhan H.X.K Fine Chemicals Co.,LTD
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Business Type:Manufacturer
Telephone:86-27-59721024
Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-25-52113793
Diamond member Wuhan Fortuna Chemical Co., Ltd.
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Business Type:Manufacturer
Telephone:0086-27-59207850
Diamond member AOPHARM
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Business Type:Manufacturer
Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Business Type:Manufacturer
Telephone:86-571-85829152
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Diamond member Shulin Li
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-17083-639935

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