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Home> Hot Product Listed 1   > (1R)-3α,5β-Diacetoxy-2β-[3-(methoxyimino)octyl]cyclopentane-1α-propionic acid methyl ester
110-17-8 structure

(1R)-3α,5β-Diacetoxy-2β-[3-(methoxyimino)octyl]cyclopentane-1α-propionic acid methyl ester

Iupac Name:(E)-but-2-enedioic acid
CAS No.:110-17-8
Molecular Weight:116.072
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

(1r)-3alpha,5beta-diacetoxy-2beta-[3-(methoxyimino)octyl]cyclopentane-1alpha-propionic acid methyl ester

Inchi
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChkey
VZCYOOQTPOCHFL-OWOJBTEDSA-N
Canonical Smiles
C(=CC(=O)O)C(=O)O
Isomers Smiles
C(=C/C(=O)O)\C(=O)O
Properties
Melting Point
295-300℃
Boiling Point
626°C at 760 mmHg
Safety and Handling
Risk Statements
R36
Safety Statements
S26
Hazard Note
H319
PackingGroup
Z01
Transport
UN 9126
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 >
INTERMEDIATE INDIVIDUAL INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
AJINOMOTO FOODS EUROPE S.A.S. 2013
Ashland Services BV (0311) 2016
Chemical Solutions Limited 2015
more >
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:116.072g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.3
  • Exact Mass:116.011
  • Monoisotopic Mass:116.011
  • Complexity:119
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:8
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAAACAAAAgCI ACDSCAAAAAAAAAAICAAAAEAABAAAAAAAEAAAAAAAEYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-85829153
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