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Home> Hot Product Listed 2   > 2,4-Heptadienoic acid,7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-, (2E,4E,6S)-
554-13-2 structure

2,4-Heptadienoic acid,7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-, (2E,4E,6S)-

Iupac Name:dilithium;carbonate
CAS No.:554-13-2
Molecular Weight:73.888
Molecular Formula:C12H17NO2 (isomer)
Names and Identifiers
Synonyms

(-)-trichostatic acid (-)-trichostatsaeure (2e,4e,6s)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid (s)-trichostatic acid (s,2e,4e)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic acid 2,4-Heptadienoicacid, 7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxo-, [S-(E,E)]- CHEBI:39159 SCHEMBL13859924 Trichostatic acid

Inchi
InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChkey
XGZVUEUWXADBQD-UHFFFAOYSA-L
Canonical Smiles
[Li+].[Li+].C(=O)([O-])[O-]
Properties
Melting Point
720℃
Boiling Point
143.2°Cat760mmHg
Flash Point
594.2 °C
HS Code
28369100
Safety and Handling
Risk Statements
R22;R36/37/38;R41
Safety Statements
S26;S37/39
Hazard Note
H302; H319
Transport
50kgs
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 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
Albemarle Germany GmbH 2015
Albemarle U.S., Inc. 2016
FMC Chemicals Ltd 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H319 Causes serious eye irritation

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.

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:73.888g/mol
  • Molecular Formula:C12H17NO2
  • Compound Is Canonicalized:True
  • Exact Mass:74.017
  • Monoisotopic Mass:74.017
  • Complexity:18.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2A^2
  • Heavy Atom Count:6
  • 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:3
  • CACTVS Substructure Key Fingerprint: AAADcQwAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAI AAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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