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Home> Hot Product Listed R   > (R)-3,4-Dihydro-8-methoxy-3,5-dimethylisocoumarin
1619-34-7 structure

(R)-3,4-Dihydro-8-methoxy-3,5-dimethylisocoumarin

CAS No.:1619-34-7
EINECS(EC#): 231-795-4
Molecular Weight:127.18422
Molecular Formula:C9H6CLNO2 (isomer)
Names and Identifiers
Synonyms

8-methoxy-3,5-dimethyl-3,4-dihydro-1h-isochromen-1-one # isocoumarin, 3,4-dihydro-8-methoxy-3,5-dimethyl-, (r)- PUHAIJJCXSKQQD-MRVPVSSYSA-N

Inchi
InChI=1/C7H13NO/c9-7-5-8-3-1-6(7)2-4-8/h6-7,9H,1-5H2
InChkey
IVLICPVPXWEGCA-UHFFFAOYSA-N
Canonical Smiles
C1CN2CCC1C(C2)O
Properties
Melting Point
217-224℃
Boiling Point
442.527°C at 760 mmHg
Vapour
0.0545mmHg at 25°C
Flash Point
153.6°C
Safety and Handling
Risk Statements
R11;R34
Safety Statements
S16;S26;S36/37/39;S45
HazardClass
8
Hazard Note
H314
PackingGroup
III
Transport
UN 3263
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  
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

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

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

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:127.18422g/mol
  • Molecular Formula:C9H6CLNO2
  • Exact Mass:127.099714
  • Monoisotopic Mass:127.099714
  • Complexity:108
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:23.5
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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