CAS 36727-29-4|3,5,5-Trimethylhexanoyl chloride

Introduction：Basic information about CAS 36727-29-4|3,5,5-Trimethylhexanoyl chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Safety Information
4. Customs
5. Articles3
6. Synonyms

Common Name	3,5,5-Trimethylhexanoyl chloride
CAS Number	36727-29-4	Molecular Weight	176.68400
Density	0.93 g/mL at 25 °C(lit.)	Boiling Point	188-190 °C(lit.)
Molecular Formula	C₉H₁₇ClO	Melting Point	188-190ºC
MSDS	ChineseUSA	Flash Point	284 °F
Symbol	GHS05, GHS06	Signal Word	Danger

Names

Name	3,5,5-Trimethylhexanoyl chloride
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.93 g/mL at 25 °C(lit.)
Boiling Point	188-190 °C(lit.)
Melting Point	188-190ºC
Molecular Formula	C₉H₁₇ClO
Molecular Weight	176.68400
Flash Point	284 °F
Exact Mass	176.09700
PSA	17.07000
LogP	3.21420
Index of Refraction	n20/D 1.436(lit.)
InChIKey	GEKPNPPFAYJZRD-UHFFFAOYSA-N
SMILES	CC(CC(=O)Cl)CC(C)(C)C

Safety Information

Symbol	GHS05, GHS06
Signal Word	Danger
Hazard Statements	H290-H302-H314-H317-H330-H412
Supplemental HS	Reacts violently with water.
Precautionary Statements	P260-P273-P280-P284-P305 + P351 + P338-P310
Personal Protective Equipment	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	C:Corrosive;
Risk Phrases	R14;R20;R34
Safety Phrases	S26-S27-S36/37/39-S45
RIDADR	3389
WGK Germany	1
RTECS	MP4560000
Packaging Group	III
Hazard Class	8
HS Code	2915900090

Customs

HS Code	2915900090
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles3

Antibacterial barbituric acid analogues inspired from natural 3-acyltetramic acids; synthesis, tautomerism and structure and physicochemical property-antibacterial activity relationships.

Molecules 20(3) , 3582-627, (2015)

The synthesis, tautomerism and antibacterial activity of novel barbiturates is reported. In particular, 3-acyl and 3-carboxamidobarbiturates exhibited antibacterial activity, against susceptible and s...

Chemical synthesis, isolation and characterization of a-N-fattyacyl colistin nonapeptide with special reference to the correlation between antimicrobial activity and carbon number of fattyacyl moiety. Chihara S, et al.

Agric. Biol. Chem. 38(3) , 521-529, (1974)

Outer-Sphere Coordination Chemistry: Amido-Ammonium Ligands as Highly Selective Tetrachloridozinc (II) ate Extractants. Turkington JR, et al.

Inorg. Chem. 51(23) , 12805-12819, (2012)

Synonyms

Isononanoic acid chloride

EINECS 253-168-4

3,5,5-trimethyl hexanoic acid chloride

3,5,5-TriMethylhexanoyl Chloride

3,5,5-Trimethyl-hexanoylchlorid

3,5,5-trimethyl hexanoyl chloride

Hexanoyl chloride,3,5,5-trimethyl

Isononanoyl chloride

MFCD00044028

3,5,5-trimethyl-1-hexanoyl chloride

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