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Home> Hot Product Listed 1   > 1-Naphthalenecarboxamide,3,4,4a,5,6,7,8,8a-octahydro-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]-8a-met...
68608-88-8 structure

1-Naphthalenecarboxamide,3,4,4a,5,6,7,8,8a-octahydro-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]-8a-methyl-

Iupac Name:4-(4,6,8-trimethylnonan-3-yl)benzenesulfonic acid
CAS No.:68608-88-8
Molecular Weight:326.495
Molecular Formula:C14H15N3O3·CLH (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C18H30O3S/c1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21/h7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21)
InChkey
IMRAQEPVUVPOHG-UHFFFAOYSA-N
Canonical Smiles
CCC(C1=CC=C(C=C1)S(=O)(=O)O)C(C)CC(C)CC(C)C
Properties
Refractive Index
1.505
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
Innospec Performance Chemicals France SAS 2012
STEPAN UK Limited 2013
Unger Fabrikker AS 2013
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1C

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H314 Causes severe skin burns and eye damage

H318 Causes serious eye damage

H411 Toxic 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.

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

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/…if you feel unwell.

P330 Rinse mouth.

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/…

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.

P391 Collect spillage.

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:326.495g/mol
  • Molecular Formula:C14H15N3O3·CLH
  • Compound Is Canonicalized:True
  • Exact Mass:326.192
  • Monoisotopic Mass:326.192
  • Complexity:403
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:62.8A^2
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4MABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAQACAAADQCAWAAyAYAAAIKA AiBCAHBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgMAOkAAAAAAAAAAgAAAAAAAAAAAAAAAA AA==
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