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Home> Encyclopedia > Hot Product Listed 5   > 5H-Dicyclopenta[b,c]furan-3a(1H)-ol,hexahydro-3,5,5,8-tetramethyl-, (3S,3aR,5aR,8R,8aS)-
121-32-4 structure

5H-Dicyclopenta[b,c]furan-3a(1H)-ol,hexahydro-3,5,5,8-tetramethyl-, (3S,3aR,5aR,8R,8aS)-

Iupac Name:3-ethoxy-4-hydroxybenzaldehyde
CAS No.:121-32-4
Molecular Weight:166.1739
Molecular Formula:C14H17CLN4 (isomer)
Names and Identifiers
Synonyms

(-)-Bakerol 5H-Dicyclopenta[b,c]furan-3a(1H)-ol,hexahydro-3,5,5,8-tetramethyl-, [3S-(3a,3aa,5ab,8b,8aR*)]- Bakerol

Inchi
InChI=1/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChkey
CBOQJANXLMLOSS-UHFFFAOYSA-N
Canonical Smiles
CCOC1=C(C=CC(=C1)C=O)O
Properties
Melting Point
76-79℃
Boiling Point
620.6°Cat760mmHg
Vapour
0.000884mmHg at 25°C
Refractive Index
1.434
Flash Point
195.8°C
HS Code
29124200
Safety and Handling
Risk Statements
R22;R36/37/38
Safety Statements
S26;S36
PackingGroup
I; II; III
Transport
无资料?
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:166.1739g/mol
  • Molecular Formula:C14H17CLN4
  • XLogP3-AA:1.6
  • Exact Mass:166.062994
  • Monoisotopic Mass:166.062994
  • Complexity:147
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:46.5
  • Heavy Atom Count:12
  • 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:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-574-89212210
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