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99-03-6 structure

CAS No.:99-03-6
EINECS(EC#): 221-994-4
Molecular Weight:135.16316
Molecular Formula:C5H10O4 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3
InChkey
CKQHAYFOPRIUOM-UHFFFAOYSA-N
Properties
Melting Point
95-98℃
Boiling Point
624°C at 760 mmHg
Refractive Index
1.571
Flash Point
31.1 °C
HS Code
29223900
Storage temp
−20°C
Safety and Handling
Risk Statements
R22
Safety Statements
36/37-36-26
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Sustainability Support Services (Europe) AB 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:135.16316g/mol
  • Molecular Formula:C5H10O4
  • XLogP3-AA:1.2
  • Exact Mass:135.068414
  • Monoisotopic Mass:135.068414
  • Complexity:133
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:43.1
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • 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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Recommended Suppliers
  • Tel:86-1561302-0362
  • Fax:86-1561302-0362
  • Tel:
  • Fax:+86-513-83574022
  • Tel:+86-(710)-3561757
  • Fax:+86-(710)-3561859
  • Tel:+86-515-84382331, 84383518
  • Fax:+86-576-81818901
  • Tel:86-0571-85270505
  • Fax:86-0571-85270303
  • Tel:+1-(978)-521-6300
  • Fax:+1-(978)-521-6350
  • Tel:+1-(973)-740-2300
  • Fax:+1-(973)-740-1839
  • Tel:+86-(711)-381-1569
  • Fax:+86-(711)-381-1569
  • Tel:+86-(513)-85221310, 83567255
  • Fax:+86-(513)-83574022
  • Tel:+49-(40)-32008-326
  • Fax:+49-(40)-32008-696
 
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