Pimelic acid | CAS No. 111-16-0

Pimelic acid

Basic Information

CAS Number

111-16-0

Molecular Formula

C7H12O4

Molecular Weight

160.17 g/mol

AD

Basic Physical Properties

Melting Point

103-105 °C

Boiling Point

212 °C/10 mmHg

Water Solubility

25 g/L (13 ºC)

Flash Point

212℃/10mm

Solubility

ethanol: 0.1 g/mL, clear to very faintly hazy

Refractive Index

1.4352 (estimate)

C(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)

InChIKey

WLJVNTCWHIRURA-UHFFFAOYSA-N

LogP

1.1061

pKa

4.71(at 25℃)

Topological Polar Surface Area

74.6 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

125

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

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

  • WLN: QV5VQ
  • S3145
  • AKOS009031234
  • NS00003808
  • NSC 30112
  • F0001-0234
  • CAS-111-16-0
  • Z104495338
  • UNII-BZQ96WX25F
  • CHEMBL1235351
  • Heptanedioic acid
  • DTXCID001598
  • 6GT
  • PIMELIC ACID [MI]
  • bmse000354
  • LMFA01170051
  • NCGC00258723-01
  • 1,7-Heptanedioic acid
  • Pilerate
  • SY014051
  • 6-carboxyhexanoate
  • PML
  • AS-13133
  • Heptandioate
  • CHEBI:30531
  • 1,7-Heptanedioate
  • Heptane-1,7-dioate
  • EN300-21319
  • EINECS 203-840-8
  • BZQ96WX25F
  • CS-W019990

MDL Number

MFCD00004425

Customs Code

2917190090

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