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CAS No.: | 36727-29-4 |
---|---|
Name: | 3,5,5-Trimethylhexanoyl chloride |
Molecular Structure: | |
Formula: | C9H17ClO |
Molecular Weight: | 176.686 |
Synonyms: | 2,4,4-Trimethylhexanoylchloride;3,5,5-Trimethylhexanoic acid chloride;Isononanoic acid chloride;isononanoyl chloride; |
EINECS: | 253-168-4 |
Density: | 0.949 g/cm3 |
Melting Point: | 188-190oC |
Boiling Point: | 188.8 °C at 760 mmHg |
Flash Point: | 58.2 °C |
Appearance: | colorless liquid |
Hazard Symbols: | C |
Risk Codes: | 14-20-34 |
Safety: | 26-27-36/37/39-45 |
Transport Information: | UN 3389 |
PSA: | 17.07000 |
LogP: | 3.21420 |
3,5,5-trimethylhexanoic acid
isononanoyl chloride
Conditions | Yield |
---|---|
With phosphorus pentachloride | |
With thionyl chloride |
isononanol
isononanoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: air; silver / 410 - 430 °C 2: air; magnesium acetate; glacial acetic acid / 25 °C 3: SOCl2 View Scheme | |
Multi-step reaction with 2 steps 1: chromium (VI)-oxide; acetic acid 2: phosphorus (V)-chloride View Scheme |
3,5,5-trimethyl hexanal
isononanoyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: air; magnesium acetate; glacial acetic acid / 25 °C 2: SOCl2 View Scheme | |
Multi-step reaction with 2 steps 1: O2 / Co(OAc)2 2: SOCl2 View Scheme |
4-nitro-phenol
isononanoyl chloride
4-Nitrophenyl 3,5,5-trimethylhexanoate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; for 1.5h; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 14h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With pyridine; tetrabutylammomium bromide In ethyl acetate at 50℃; for 0.5h; | 99.1% |
(S)-methyl 2-amino-4-(methylthio)butanoate hydrochloride
isononanoyl chloride
methyl (2S)-4-(methylthio)-2-(3,5,5-trimethylhexanamido)butanoate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 99% |
tert.-butylhydroperoxide
isononanoyl chloride
Conditions | Yield |
---|---|
With potassium hydroxide In water at 25℃; | 98.2% |
With potassium hydroxide In water at 25℃; Product distribution / selectivity; Industry scale; | 98.2% |
pentaerythritol triallyl ether
isononanoyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 5.33333h; Inert atmosphere; Cooling; | 98% |
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IUPAC Name: 3,5,5-Trimethylhexanoyl chloride
Synonyms of Hexanoyl chloride,3,5,5-trimethyl- (CAS NO.36727-29-4): 3,5,5-Trimethylhexanoyl chloride ; EINECS 253-168-4 ; Isononanoic acid chloride ; Isononanoyl chloride
CAS NO: 36727-29-4
Molecular Formula of Hexanoyl chloride,3,5,5-trimethyl- (CAS NO.36727-29-4): C9H17ClO
Molecular Weight: 176.6837
Molecular Structure:
Melting Point: 145-148 °C
ProductCategories: ACID CHLORIDES
Polar Surface Area: 17.07 Å2
Index of Refraction: 1.435
Molar Refractivity: 48.54 cm3
Molar Volume: 186 cm3
Surface Tension: 27.5 dyne/cm
Density of Hexanoyl chloride,3,5,5-trimethyl- (CAS NO.36727-29-4): 0.949 g/cm3
Flash Point: 58.2 °C
Enthalpy of Vaporization: 42.5 kJ/mol
Boiling Point: 188.8 °C at 760 mmHg
Vapour Pressure: 0.587 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LC50 | inhalation | 240ppm/4H (240ppm) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0539748, |
Hazard Codes: C
Risk Statements: 14-20-34
R14: Reacts violently with water.
R20: Harmful by inhalation.
R34: Causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27: Take off immediately all contaminated clothing.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3389
WGK Germany: 1
RTECS: MP4560000
HazardClass: 8
PackingGroup: III