107-41-5

Name 2-Methyl-2,4-pentanediol
CAS 107-41-5
EINECS(EC#) 203-489-0
Molecular Formula C6H14O2
MDL Number MFCD00004547
Molecular Weight 118.17
MOL File 107-41-5.mol

Chemical Properties

Appearance liquid
Melting point  -40 °C (lit.)
Boiling point  197 °C (lit.)
density  0.925 g/mL at 25 °C(lit.)
vapor density  4.1 (vs air)
vapor pressure  0.02 mm Hg ( 20 °C)
refractive index  n20/D 1.427(lit.)
Fp  201 °F
storage temp.  2-8°C
solubility  H2O: 1 M at 20 °C, clear, colorless
form  Slightly Viscous Liquid
pka 15.10±0.29(Predicted)
color  Clear
Odor Ammonia-like.
PH 6-8 (25℃, 1M in H2O)
Stability: Stable. Incompatible with strong oxidizing agents, strong acids, strong reducing agents.
biological source synthetic
explosive limit 1-9.9%(V)
Optical Rotation -0.2375°(C=1g/100ml MEOH)
Water Solubility  soluble
Specific Heat Capacity Cp(liquid):336J/(g·K),at 25℃
Sensitive  Hygroscopic
λmax λ: 260 nm Amax: 0.01
λ: 280 nm Amax: 0.01
Merck  14,4710
BRN  1098298
Henry's Law Constant 2.5×101 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant 24.399999999999999
Exposure limits ACGIH: TWA 25 ppm; STEL 50 ppm(10 mg/m3)
NIOSH: Ceiling 25 ppm(125 mg/m3)
Cosmetics Ingredients Functions SURFACTANT - EMULSIFYING
SOLVENT
SKIN CONDITIONING
PERFUMING
SURFACTANT - CLEANSING
Cosmetic Ingredient Review (CIR) 2-Methyl-2,4-pentanediol (107-41-5)
InChI 1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChIKey SVTBMSDMJJWYQN-UHFFFAOYSA-N
SMILES CC(O)CC(C)(C)O
LogP 0 at 20℃
Uses
hexylene glycol could be considered a solubilizer.
CAS DataBase Reference 107-41-5(CAS DataBase Reference)
NIST Chemistry Reference 2,4-Pentanediol, 2-methyl-(107-41-5)
EPA Substance Registry System 107-41-5(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
Signal word  Warning
Hazard statements  H315-H319-H361d
Precautionary statements  P202-P264-P280-P302+P352-P305+P351+P338-P308+P313
Hazard Codes  Xi
Risk Statements 
R36/38:Irritating to eyes and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
OEL Ceiling: 25 ppm (125 mg/m3)
WGK Germany  1
RTECS  SA0810000
F  3-23
Autoignition Temperature 425 °C DIN 51794
TSCA  Yes
REACH Registrations Active
HS Code  29053910
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Repr. 2
Skin Irrit. 2
Hazardous Substances Data 107-41-5(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 4.70 g/kg (Smyth, Carpenter)

Hazard Information

Material Safety Data Sheet(MSDS)

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