Diacetone Alcohol CAS#123-42-2

Boiling point 

166 °C(lit.)

density 

0.938 g/mL at 20 °C

vapor density 

4 (vs air)

vapor pressure 

<1 mm Hg ( 20 °C)

refractive index 

n20/D 1.423(lit.)

Fp 

132 °F

storage temp. 

Store below +30°C.

solubility 

Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such as acetone and 2-butanone.

pka

14.57±0.29(Predicted)

form 

Liquid

color 

Clear colorless

Odor

Mild, pleasant.

explosive limit

1.8-6.9%(V)

Water Solubility 

MISCIBLE

λmax

249nm(lit.)

Merck 

14,2964

Concentration

0.1 mCi/ml

BRN 

1740440

Solvent

Ethanol

Specific Activity

25-50 mCi/mmol

Exposure limits

TLV-TWA 240 mg/m3 (50 ppm) (ACGIH); IDLH 2100 ppm (NIOSH).

Dielectric constant

18.2（Ambient）

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.

Cosmetics Ingredients Functions

PERFUMING
SOLVENT
FRAGRANCE

Cosmetic Ingredient Review (CIR)

Diacetone Alcohol (123-42-2)

InChI

1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3

InChIKey

SWXVUIWOUIDPGS-UHFFFAOYSA-N

SMILES

CC(=O)CC(C)(C)O

LogP

-0.09 at 20℃

Surface tension

29.44 mN/m at 303.15K

CAS DataBase Reference

123-42-2(CAS DataBase Reference)

NIST Chemistry Reference

4-Hydroxy-4-methylpentan-2-one(123-42-2)

EPA Substance Registry System

4-Hydroxy-4-methyl-2-pentanone (123-42-2)

Safety Information

Risk Statements 

36-R36

Safety Statements 

24/25-S24/25

RIDADR 

UN 1148 3/PG 3

OEB

A

OEL

TWA: 50 ppm (240 mg/m3)

WGK Germany 

1

RTECS 

SA9100000

F 

9

Autoignition Temperature

640 °C

TSCA 

TSCA listed

HS Code 

2914 40 10

HazardClass 

3

PackingGroup 

III

Storage Class

3 - Flammable liquids

Hazard Classifications

Eye Irrit. 2
Flam. Liq. 3
Repr. 2
STOT SE 3

Hazardous Substances Data

123-42-2(Hazardous Substances Data)

Toxicity

LD50 orally in rats: 4.0 g/kg (Smyth)

IDLA

1,800 ppm [10% LEL]