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Home> Hot Product Listed J   > JBOLPJWZEGJXBB-UHFFFAOYSA-N
110-19-0 structure

JBOLPJWZEGJXBB-UHFFFAOYSA-N

Iupac Name:2-methylpropyl acetate
CAS No.:110-19-0
Molecular Weight:116.16
Molecular Formula:C12H17NO2 (isomer)
Names and Identifiers
Synonyms

4-(3-cyano-benzoyl)-piperazine-1-carboxylic acid tert-butyl ester AK380718 AKOS027374743 PB279118338 SCHEMBL222011 tert-butyl 4-(3-cyanobenzoyl)piperazine-1-carboxylate ZINC24029711

Inchi
InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
InChkey
GJRQTCIYDGXPES-UHFFFAOYSA-N
Canonical Smiles
CC(C)COC(=O)C
Properties
Melting Point
-99℃
Vapour
18mmHg at 25°C
Refractive Index
1.389-1.391
Safety and Handling
Risk Statements
R11;R66
Safety Statements
S16;S23;S25;S29;S33
HazardClass
3
PackingGroup
II
Transport
UN 1213
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
DOW BENELUX B.V. - OR2 2012
Eastman Chemical B.V. 2011
INEOS nv 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

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.

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.

Storage

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

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:C12H17NO2
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.8
  • Exact Mass:116.084
  • Monoisotopic Mass:116.084
  • Complexity:76.6
  • Rotatable Bond Count:3
  • 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: AAADccBgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAICCAAABAAI AACQCAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:0086-27-59207850
  • Fax:0086-27-59524646
  • Tel:86-371-86658258
  • Fax:86-371-86658258
  • Tel:86-27-13407111142
  • Fax:86-27-13407111142
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-20-18102838259
  • Fax:86-0755-23229476
 
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