4457-71-0

Name 3-Methyl-1,5-pentanediol
CAS 4457-71-0
EINECS(EC#) 224-709-1
Molecular Formula C6H14O2
MDL Number MFCD00039547
Molecular Weight 118.17
MOL File 4457-71-0.mol
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Chemical Properties

Melting point  -60°C
Boiling point  150 °C / 25mmHg
density  0.974 g/mL at 20 °C(lit.)
vapor pressure  0.072Pa at 25℃
refractive index  n20/D 1.454
Fp  143°C
storage temp.  2-30°C
form  clear liquid
pka 14.78±0.10(Predicted)
color  Colorless
Specific Gravity 0.976 (20/4℃)
Water Solubility  1000g/L at 20℃
BRN  1697331
InChI 1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
InChIKey SXFJDZNJHVPHPH-UHFFFAOYSA-N
SMILES CC(CCO)CCO
LogP 0.03 at 25℃
CAS DataBase Reference 4457-71-0(CAS DataBase Reference)
NIST Chemistry Reference 1,5-Pentanediol, 3-methyl-(4457-71-0)
EPA Substance Registry System 4457-71-0(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P305+P351+P338
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
RIDADR  1987
WGK Germany  1
RTECS  SA0800000
TSCA  Yes
REACH Registrations Active
HS Code  2905399590
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2

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