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L(+)-Ascorbic acid(CAS No. 50-81-7)

L(+)-Ascorbic acid C6H8O6 (cas 50-81-7) Molecular Structure

50-81-7 Structure

Identification and Related Records

【Name】
L(+)-Ascorbic acid
【CAS Registry number】
50-81-7
【Synonyms】
(+)-Ascorbicacid
100M
3-Oxo-L-gulofuranolactone
3-keto-L-Gulofuranolactone
Ascorbicap
Ascorell
Ascorteal
Ascorvit
C-Quin
Cantan
Catavin C
Ce-Vi-Sol
Cebion
Cecon
Ceglion
Celaskon
Cell C
Cenetone
Cergona
Cescorbat
Cetamid
L-Lyxoascorbic acid
L-Xyloascorbic acid
L-threo-Hex-2-enonic acid, g-lactone
Lemascorb
NSC 218455
Neo-Valdrin
P 1110
Scorbu C
Testascorbic
VC 40
Vitamin C
vitamin C (ascorbic acid)
L-Ascorbic acid
【EINECS(EC#)】
200-066-2
【Molecular Formula】
C6H8O6 (Products with the same molecular formula)
【Molecular Weight】
176.12
【Inchi】
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
【InChIKey】
CIWBSHSKHKDKBQ-UHFFFAOYSA-N
【Canonical SMILES】
C(C(C1C(=O)C(=C(O1)O)O)O)O
【Isomers smiles】
C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O
【MOL File】
50-81-7.mol

Chemical and Physical Properties

【Appearance】
White to very pale yellow crystalline powder with a pleasant sharp acidic taste
【Density】
1.7
【Melting Point】
190-192℃
【Boiling Point】
415.8 °C at 760 mmHg
【Refractive Index】
1.711
【Flash Point】
180.4 °C
【Alpha】
20.5 o (C=10,H2O)
【Water】
333 g/L (20℃)
【Solubilities】
Water solubility: 50 mg/mL at 20 °C, clear, nearly colorless
【Color/Form】
white to slightly yellow
【Stability】
Stable. May be weakly light or air sensitive. Incompatible with oxidizing agents, alkalies, iron, copper.
【HS Code】
29362700
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:176.12412 [g/mol]
Molecular Formula:C6H8O6
XLogP3:-1.8
H-Bond Donor:4
H-Bond Acceptor:6
Rotatable Bond Count:2
Tautomer Count:8
Exact Mass:176.032088
MonoIsotopic Mass:176.032088
Topological Polar Surface Area:107
Heavy Atom Count:12
Formal Charge:0
Complexity:232
Isotope Atom Count:0
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:4
Feature 3D Ring Count:1
Effective Rotor Count:2.4
Conformer Sampling RMSD:0.6
CID Conformer Count:3

Safety and Handling

【Hazard Codes】
Xn
【Risk Statements】
R20/21/22
【Safety Statements 】
S24/25
【Safety】

Hazard Codes of?L-Ascorbate (CAS NO.50-81-7):?Xn
Risk Statements: 20/21/22-36/37/38?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26?
S24/25: Avoid contact with skin and eyes.?
S36: Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1
RTECS: CI7650000
HS Code: 29362700

【Specification】

White crystals
Safety Statements:24/25-36-26
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

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