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Acetone-d6

Acetone-d6 structure

CAS No:
666-52-4
Formula:
C3D6O
Chemical Name:
Acetone-d6
Synonyms:
2-Propanone-1,1,1,3,3,3-d6;Acetone-d6;Hexadeuterioacetone;Hexadeuteroacetone;Perdeuterioacetone;Acetone-d6;2-Propanone-d6;Perdeuteroacetone;1,1,1,3,3,3-Hexadeutero-2-propanone;1,1,1,3,3,3-Hexadeuteriopropan-2-one;185560-61-6
Categories:
Chemical Reagents > Deuterated Reagents

Description

colourless liquid

Acetone d6 is a deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has a role as a polar aprotic solvent. It is a deuterated compound and a member of propanones.

Acetone-d6 Basic Attributes

Molecular Weight：

64.12

Exact Mass：

64.079529

EC Number：

211-563-9

UNII：

B0N19B53H8

DSSTox ID：

DTXSID20216767

HScode：

28459010

Characteristics

PSA：

17.1

XLogP3：

-0.16

Appearance：

Colorless Liquid In Prescored Ampoules, (0.75Ml/ampoule)

Density：

0.8749 g/cm³ @ Temp: 20 °C

Melting Point：

-98.3 °C

Boiling Point：

55.5 °C

Flash Point：

1 °F

Refractive Index：

1.345

Water Solubility：

soluble in water.

Storage Conditions：

Flammables area

Vapor Pressure：

14.39 psi ( 55 °C)

Vapor Density：

2 (vs air)

Toxicity：

LD50 orally in Rabbit: 5800 mg/kg LD50 dermal Rabbit 20000 mg/kg

Explosive limit：

2.6-12.8%(V)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1090 3/PG 2

wgk germany：

hazard class code：

11-36-66-67

safety instructions：

9-16-26-33-23

Marks：

F,Xi

Stability/Shelf Life：

Stable. Highly flammable. Readily forms explosive mixtures with air. Note low flashpoint and wide explosion limits. Incompatible with bases, oxidising agents, strong acids, reducing agents. Protect from moisture.

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H319-H336

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Acetone-d6 Use and Manufacturing

Isotope labelled Acetone is a common organic building block in organic chemistry. Deuterated acetone is mainly used as nuclear magnetic resonance reagents, pharmacy and synthesis, photoelectric material modification, laboratory special reagents, chemicals, scientific research, testing and so on.

Computed Properties

Molecular Weight:64.12
XLogP3:-0.1
Hydrogen Bond Acceptor Count:1
Exact Mass:64.079525286
Monoisotopic Mass:64.079525286
Topological Polar Surface Area:17.1
Heavy Atom Count:4
Complexity:26.3
Isotope Atom Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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