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Home> Hot Product Listed R   > Riboflavin, 3-methyl-
79-81-2 structure

Riboflavin, 3-methyl-

CAS No.:79-81-2
Molecular Weight:524.8604
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

3,7,8-trimethyl-10-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]-2h,3h,4h,10h-benzo[g]pteridine-2,4-dione 3-methyl-7,8-dimethyl-10-(1'-d-ribityl)isoalloxazine 3-methylriboflavin 3-Methylriboflavine AC1MIYJG Benzo[g]pteridine, riboflavin deriv. DTXSID50182885 Isoalloxazine,3,7,8-trimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)- (6CI,7CI,8CI) PL028788 ZINC13542423

Inchi
InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
InChkey
VYGQUTWHTHXGQB-FFHKNEKCSA-N
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C
Isomers Smiles
CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
Properties
Melting Point
2-8°C
Refractive Index
1.511
Flash Point
18°C
Safety and Handling
Risk Statements
R63
Safety Statements
S36/37
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 100_1000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2015
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2010
DSM Nutritional Products GmbH - OR1 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

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

P273 Avoid release to the environment.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:524.8604g/mol
  • Molecular Formula:
  • XLogP3-AA:13.6
  • Exact Mass:524.459331
  • Monoisotopic Mass:524.459331
  • Complexity:803
  • Rotatable Bond Count:21
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:38
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:4
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
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  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-85829152
  • Fax:86-571-85829153
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  • Tel:+86-0592-5567629
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  • Tel:86-27-13407111142
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  • Tel:86-188-74586545
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