ChemicalBook--->CAS DataBase List--->4457-71-0

4457-71-0

4457-71-0 Structure

4457-71-0 Structure
IdentificationMore
[Name]

3-Methyl-1,5-pentanediol
[CAS]

4457-71-0
[Synonyms]

1,5-DIHYDROXY-3-METHYLPENTANE
3-METHYL-1,5-PENTANEDIOL
3-Methyl-1,5-pentandiol
3-methyl-5-pentanediol
3-methyl-pentane-1,5-diol
5-Pentanediol,3-methyl-1
3-Methyl-1,5-pentadiol
1,5-Pentanediol, 3-methyl-
3-METHYL-1,5-PENTANEDIOL 98+%
[EINECS(EC#)]

224-709-1
[Molecular Formula]

C6H14O2
[MDL Number]

MFCD00039547
[Molecular Weight]

118.17
[MOL File]

4457-71-0.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

Colorlessliquid
[Uses]

3-Methyl-1,5-pentanediol is a reagent used in the preparation of lactones from diols using molecular oxygen oxidant and hydrotalcite-supported gold nanoparticles catalysts under mild conditions.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-1,5-pentanediol(4457-71-0)MS
3-Methyl-1,5-pentanediol(4457-71-0)1HNMR
3-Methyl-1,5-pentanediol(4457-71-0)IR1
3-Methyl-1,5-pentanediol(4457-71-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methyl-1,5-pentanediol, 99%(4457-71-0)
[Sigma Aldrich]

4457-71-0(sigmaaldrich)
[TCI AMERICA]

3-Methyl-1,5-pentanediol,>97.0%(GC)(4457-71-0)
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