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Home> Hot Product Listed N   > Nonanoic acid, (4-hydroxy-3-methoxyphenyl)methyl ester
2032-35-1 structure

Nonanoic acid, (4-hydroxy-3-methoxyphenyl)methyl ester

Iupac Name:2-bromo-1,1-diethoxyethane
CAS No.:2032-35-1
Molecular Weight:197.072
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

Nonanoic acid (4-hydroxy-3-methoxyphenyl)methyl ester Nonanoic acid vanillyl ester Syntheticcapsiate(Vanillylnonanoate) Vanillyl nonanoate Vanillylnonanoate

Inchi
InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChkey
LILXDMFJXYAKMK-UHFFFAOYSA-N
Canonical Smiles
CCOC(CBr)OCC
Properties
Vapour
0.599mmHg at 25°C
Refractive Index
1.438-1.44
Flash Point
213.7°C
HS Code
29110000
Safety and Handling
Risk Statements
R10;R22;R23;R36/38
Safety Statements
S16;S26;S28;S37/39;S38;S45
HazardClass
6.1
PackingGroup
III
Transport
UN 1989
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
ICL Europe Coöperatief U.A. (OR3) 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H319 Causes serious eye irritation

H330 Fatal if inhaled

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.

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

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P320 Specific treatment is urgent (see ... on this label).

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:197.072g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:196.01
  • Monoisotopic Mass:196.01
  • Complexity:53
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5A^2
  • Heavy Atom Count:9
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBgMAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgBAAAABQACwgAMCCAAABAAA AAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAiAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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