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Home> Hot Product Listed T   > T6686608
123-86-4 structure

T6686608

Iupac Name:butyl acetate
CAS No.:123-86-4
Molecular Weight:116.16
Molecular Formula:C20H24N4O3S2 (isomer)
Names and Identifiers
Synonyms

1-(4-methyl-2-oxo-2h-chromen-7-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]urea MCULE-2328717141 MOLPORT-009-104-259 Z840574140

Inchi
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChkey
DKPFZGUDAPQIHT-UHFFFAOYSA-N
Canonical Smiles
CCCCOC(=O)C
Properties
Melting Point
-77.9℃
Vapour
11.5mmHg at 25°C
Refractive Index
1.393-1.395
Safety and Handling
Risk Statements
R10;R66;R67
Safety Statements
S25
HazardClass
3
Hazard Note
H226; H336
PackingGroup
III
Transport
UN 1123
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 100000_1000000 view >
FULL INDIVIDUAL 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
3M Belgium BVBA/SPRL 2015
AKZO Nobel Car Refinishes B.V. 2013
Axalta Coating Systems Germany GmbH & Co. KG 2015
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H336 May cause drowsiness or dizziness

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

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

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

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

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:116.16g/mol
  • Molecular Formula:C20H24N4O3S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:116.084
  • Monoisotopic Mass:116.084
  • Complexity:68.9
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:8
  • 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: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICCAAABAAI AACQCAAAAAAAAAAAAAAAAAAAAAAAAAACAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-523-87535308
  • Fax:0086-523-87530018
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-592-5360779
  • Fax:86-592-5360779
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:86-546-8339803
  • Fax:0086-546-8339803
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-21-61723543
  • Fax:86-21-33250189
 
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