Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 3   > 3-Methyl-3-cyclohexen-1-ol
673-06-3 structure

3-Methyl-3-cyclohexen-1-ol

Iupac Name:(2R)-2-amino-3-phenylpropanoic acid
CAS No.:673-06-3
EINECS(EC#): 611-044-0
Molecular Weight:165.18914
Molecular Formula:C9H10BRNO2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChkey
COLNVLDHVKWLRT-MRVPVSSYSA-N
Canonical Smiles
C1=CC=C(C=C1)CC(C(=O)O)N
Properties
Melting Point
273-276 °C(lit.)
Boiling Point
419.3°C at 760 mmHg
Refractive Index
34 ° (C=2, H2O)
Flash Point
248°C
Alpha
33.5 o (C=2, H2O)
HS Code
29224995
Safety and Handling
Risk Statements
34
Safety Statements
24/25-45-36/37/39-27-26
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  
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

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:165.18914g/mol
  • Molecular Formula:C9H10BRNO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.5
  • Exact Mass:165.079
  • Monoisotopic Mass:165.079
  • Complexity:153
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAQwCIBAAgCI AiDSCAACAAAgAAAIiIGAAIgKIDKAkRGAYAAkkAAIiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-27-88660577
  • Fax:86-27-88991911
Recommended Suppliers
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-27-88660577
  • Fax:86-27-88991911
 
<