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Rutin structure
Rutin structure


Iupac Name:2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
CAS No.:153-18-4
Molecular Weight:610.5175
Introduction: Found in many plants, especially the buckwheat plant. Identity with Ilixanthin. Capillary protectant. Rutin is colored brown by tobacco enzyme under experimental conditions.
1. Names and Identifiers
1.1 Name
1.2 Synonyms

3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,74H-1-Benzopyran-4-one 3-[[6-O-(-Deoxy-L-mannopyranosyl)-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 4-dihydroxyphenyl)-5,7-dihydroxy-yranosyl]oxy]-2-( 4h-1-benzopyran-4-one,3-[[6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucop bioflavonoid globularicitrin ilixathin

1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C27H30O16 (isomer)
1.7 Inchi
1.8 InChkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. 3D Conformer
3. Properties
3.1 Density
3.2 Melting Point
3.3 Boiling Point
983.1 °C at 760 mmHg
3.4 Refractive Index
3.5 Flash Point
325.4 °C
3.6 Alpha
D23 +13.82° (ethanol); D23 -39.43° (pyridine)
3.7 Appearance
Pale-Yellow Crystalline Solid
3.8 Chemical Properties
Pale-Yellow Crystalline Solid
3.9 Color/Form
yellow to green
3.10 Solubility
pyridine: 50 mg/mL
3.11 Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
3.12 StorageTemp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. Store protected from light.
3.13 Water solubility
12.5 g/100 mL
4. Use and Manufacturing
4.1 Definition
ChEBI: A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups.
4.2 Usage
Found in many plants, especially the buckwheat plant. Identity with Ilixanthin. Capillary protectant. Rutin is colored brown by tobacco enzyme under experimental conditions.
5. Safety and Handling
5.1 Hazard Codes
Xn; Xi
5.2 Risk Statements
5.3 Safety Statements
5.4 Transport
5.5 Safety

Hazard Codes of Rutin (CAS NO.153-18-4):?HarmfulXn,IrritantXi
Risk Statements: 22-36/37/38
R22: Harmful 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: 3
RTECS: VM2975000
F: 8

5.6 Specification

?Rutin , its cas register number is 153-18-4. the other name is rutoside , quercetin-3-rutinoside and sophorin , is a citrus flavonoid glycoside found in buckwheat, the leaves and asparagus,and petioles of Rheum species, . Rutin is also found in the fruit of the Fava D'Anta tree ,fruits and fruit rinds and berries such as mulberry and cranberries. Its name comes from the name of Ruta graveolens, a plant that also contains rutin.
The Health effects information of
Rutin (CAS NO.153-18-4):
1. It has anti-inflammatory activity.
2. It?inhibits platelet aggregation, making the blood thinner and improves circulation.?
3. It inhibits aldose reductase activity. Aldose reductase is an enzyme normally present in the eye and elsewhere in the body.

5.7 Toxicity
LD50 i.v. in mice: 950 mg/kg (propylene glycol soln) (Harrison)

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.


P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.


P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Computational chemical data
  • Molecular Weight:610.5175g/mol
  • Molecular Formula:C27H30O16
  • Exact Mass:610.153385
  • Monoisotopic Mass:610.153385
  • Complexity:1020
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:266
  • Heavy Atom Count:43
  • Defined Atom Stereocenter Count:10
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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