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Home> Hot Product Listed 2   > 2-Pentanol,3,3-dimethyl-
75-52-5 structure

2-Pentanol,3,3-dimethyl-

CAS No.:75-52-5
Molecular Weight:61.04002
Molecular Formula:C22H28N2O (isomer)
Names and Identifiers
Synonyms

3,3-Dimethyl-2-pentanol Methyl-tert-pentylcarbinol

Inchi
InChI=1/CH3NO2/c1-2(3)4/h1H3
InChkey
LYGJENNIWJXYER-UHFFFAOYSA-N
Canonical Smiles
C[N+](=O)[O-]
Properties
Density
g/cm3
Melting Point
-29℃
Boiling Point
328.3°Cat760mmHg
Refractive Index
1.3805-1.3825
Safety and Handling
Risk Statements
R10;R22;R5
Safety Statements
S41
Hazard Note
H226; H302; H331; H351
PackingGroup
II
Transport
UN 1261
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 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
ANGUS CHEMIE GMBH 2016
Merck Schuchardt OHG 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

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.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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.

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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:61.04002g/mol
  • Molecular Formula:C22H28N2O
  • Exact Mass:61.016378
  • Monoisotopic Mass:61.016378
  • Complexity:27.5
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:45.8
  • Heavy Atom Count:4
  • 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
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