diacetone alcohol

CAS No. 123-42-2

Formula: C6H12O2
Basic Info

Diacetone alcohol is a chemical compound with the formula CH3C(O)CH2C(OH)(CH3)2, sometimes called DAA. This liquid is a common synthetic intermediate used for the preparation of other compounds, and is also used as a solvent.
It occurs naturally in Achnatherum robustum.

Formula
C6H12O2
Molecular Weight
116.158
Exact Mass
116.084
LogP
0.7364
PSA
37.3
Synonyms

2-Pentanone, 4-hydroxy-4-methyl-

Diacetone Alcohol

4-hydroxy-4-methylpentan-2-one

4-Hydroxy-4-methyl-2-pentanone

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Properties
Appearance & Physical State
Clear, colorless liquid
Density
0.938
Boiling Point
166ºC
Melting Point
-42.8ºC
Flash Point
58ºC
Refractive Index
1.4223-1.4243
Water Solubility
MISCIBLE
Stability
Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Vapor Density
4 (vs air)
Vapor Pressure
<1 mm Hg ( 20 °C)
Safety Info
RTECS
SA9100000
Safety Statements
S24/25
WGK Germany
1
Risk Statements
R36
HS Code
2914130000
RIDADR
UN 1148
Hazard Class
3
Packing Group
III
Caution Statement
P210; P305 + P351 + P338; P370 + P378
Hazard Codes
Hazard Declaration
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Human
Dose/Duration
100 ppm/15M
Toxic Effects
--
Reference
Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946
SKIN/EYE IRRITATION DATA
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Type of Test
Open irritation test
Exposure Route
Administration onto the skin
Species Observed
Rodent - rabbit
Dose/Duration
10 mg/24H
Toxic Effects
--
Reference
Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 30,63,1948
ACUTE TOXICITY DATA
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Type of Test
TCLo - Lowest published toxic concentration
Exposure Route
Inhalation
Species Observed
Human
Dose/Duration
100 ppm
Toxic Effects
Sense Organs and Special Senses (Eye)--effect, not otherwise specified<br>Behavioral--headache<br>Gastrointestinal--nausea or vomiting
Reference
Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,21,1974

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