(2S,4S)-2,4-Pentanediol | CAS No. 72345-23-4

(2S,4S)-2,4-Pentanediol

Basic Information

CAS Number

72345-23-4

Molecular Formula

C5H12O2

Molecular Weight

104.15 g/mol

AD

Basic Physical Properties

Melting Point

45.0 to 50.0 deg-C

Boiling Point

174°C at 760 mmHg

Density

0.9917 (rough estimate)

Refractive Index

54 ° (C=10, EtOH)

Specific Rotation

+41.2° (c 10, CHCl3)

CC(CC(C)O)O

InChI

InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1

InChIKey

GTCCGKPBSJZVRZ-WHFBIAKZSA-N

LogP

0.1381

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

39.3

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • UNII-6DM2071X2E
  • SCHEMBL42873
  • AKOS015840302
  • (2S,4S)-pentane-2,4-diol
  • (2S,4S)-pentane-2,4-diol;(2S,4S)-(+)-2,4-Pentanediol
  • (+)-(2S,4S)-Pentanediol
  • EN300-218245
  • 2,4-Pentanediol, (S-(R*,R*))-
  • (2S,4S)-(+)-2,4-Dihydroxypentane
  • MFCD00064276
  • 2(S),4(S)-dihydroxypentane
  • Rel-(2s,4s)-pentane-2,4-diol
  • 2,4-Pentanediol,(2S,4S)-
  • 2,4-Pentanediol #
  • D74604
  • Q27264588
  • AKOS015911391
  • AS-40097
  • (S,S)-(+)-2,4-Pentanediol, [S-(S*,S*)]-(+)-2,4-Pentanediol
  • P1412
  • (2S,4S)-(+)-2,4-Pentanediol
  • 72345-23-4
  • (2s,4s)-2,4-pentanediol
  • (+)-(2S,4S)pentane-2,4-diol
  • (+)-2,4-pentanediol
  • (2S,4S)-(+)-Pentanediol, 99%
  • CS-0085738
  • 2,4-Pentanediol, (+)-
  • 2,4-Pentanediol, (2S,4S)-
  • A837501
  • 6DM2071X2E

MDL Number

MFCD00064276

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