3,5,5-Trimethylhexanoyl chloride | CAS No. 36727-29-4

3,5,5-Trimethylhexanoyl chloride

Basic Information

CAS Number

36727-29-4

Molecular Formula

C9H17ClO

Molecular Weight

176.69 g/mol

AD

Basic Physical Properties

Melting Point

188-190 ºC

Boiling Point

190°C

Refractive Index

n20/D 1.436(lit.)

CC(CC(=O)Cl)CC(C)(C)C

InChI

InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3

InChIKey

GEKPNPPFAYJZRD-UHFFFAOYSA-N

LogP

3.2142000000000017

Topological Polar Surface Area

17.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

135

Safety Information

View Safety Information

Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals
H314 Causes severe skin burns and eye damage
Skin corrosion/irritation
H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 8 Class 8

Synonyms & References

English

  • CAS-36727-29-4
  • Hexanoylchloride,3,5,5-trimethyl-
  • MFCD00044028
  • 36727-29-4
  • Hexanoyl chloride, 3,5,5-trimethyl-
  • AKOS022060546
  • FT-0614416
  • Q27294911
  • NS00008071
  • DTXSID0049284
  • EN300-21638
  • Z2J193VP5M
  • 3,5,5-Trimethylhexanoylchloride
  • SCHEMBL82660
  • EINECS 253-168-4
  • W-109218
  • CHEMBL3188000
  • 3,5,5-Trimethylhexanoyl chloride
  • 3,5,5,-trimethyl hexanoyl chloride
  • EC 253-168-4
  • D92424
  • DTXCID9029140
  • 3,5,5-Trimethylhexanoyl chloride, 98%
  • VS-02952
  • 3,5,5-trimethylhexanoic acid chloride
  • UNII-Z2J193VP5M
  • 2,4,4-TRIMETHYLHEXANOYL CHLORIDE
  • NCGC00260373-01
  • T0951
  • Tox21_202827
  • 3,5,5-trimethyl-1-hexanoyl chloride

MDL Number

MFCD00044028

Customs Code

2915900090

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