2-Methyl-2,4-pentanediol Structure

2-Methyl-2,4-pentanediol

Chemical Properties

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.)
Flash point 201 °F
storage temp.  Store below +30°C.
solubility  H2O: 1 M at 20 °C, clear, colorless
pka 15.10±0.29(Predicted)
form  Slightly Viscous Liquid
color  Clear
PH 6-8 (25℃, 1M in H2O)
Odor Ammonia-like.
explosive limit 1-9.9%(V)
biological source synthetic
optical activity -0.2375°(C=1g/100ml MEOH)
Water Solubility  soluble
Specific Heat Capacity Cp(liquid): 2.84 J/(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)
Exposure limits MAC:100 mg/m3
Dielectric constant 24.399999999999999
Stability Stable. Incompatible with strong oxidizing agents, strong acids, strong reducing agents.
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℃
CAS DataBase Reference 107-41-5(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances HEXYLENE GLYCOL
FDA 21 CFR 175.105; 176.180; 176.200;176.210; 177.1200; 177.1210;177.2800; 178.1010
EWG's Food Scores 1
FDA UNII KEH0A3F75J
NIST Chemistry Reference 2,4-Pentanediol, 2-methyl-(107-41-5)
EPA Substance Registry System Hexylene glycol (107-41-5)
Cosmetics Info Hexylene Glycol
UNSPSC Code 85151701
NACRES NA.26

Safety

Symbol(GHS) Exclamation Mark (GHS07)Health Hazard (GHS08)
Signal wordWarning
Hazard statements H315-H319-H361d
Precautionary statements P202-P264-P280-P302+P352-P305+P351+P338-P308+P313
Hazard Codes  Xi
Risk Statements  36/38
Safety Statements  26-36
OEL Ceiling: 25 ppm (125 mg/m3)
WGK Germany  1
RTECS  SA0810000
3-23
Autoignition Temperature 425 °C DIN 51794
TSCA  TSCA listed
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)
NFPA 704:
1
2 0

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