36727-29-4

Name 3,5,5-Trimethylhexanoyl chloride
CAS 36727-29-4
EINECS(EC#) 253-168-4
Molecular Formula C9H17ClO
MDL Number MFCD00044028
Molecular Weight 176.68
MOL File 36727-29-4.mol
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Chemical Properties

Boiling point  188-190 °C (lit.)
density  0.93 g/mL at 25 °C(lit.)
refractive index  n20/D 1.436(lit.)
Fp  284 °F
form  clear liquid
color  Colorless to Light yellow
Specific Gravity 0.940
InChI InChI=1S/C9H17ClO/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3
InChIKey GEKPNPPFAYJZRD-UHFFFAOYSA-N
SMILES C(Cl)(=O)CC(C)CC(C)(C)C
CAS DataBase Reference 36727-29-4(CAS DataBase Reference)
EPA Substance Registry System 36727-29-4(EPA Substance)

Safety Data

Hazard Codes  C
Risk Statements 
R14:Reacts violently with water.
R20:Harmful by inhalation.
R34:Causes burns.
Safety Statements 
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 label where possible) .
RIDADR  3389
WGK Germany  1
RTECS  MP4560000
TSCA  TSCA listed
HS Code  2915.90.5010
REACH Registrations Active
HazardClass  8
PackingGroup  III
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 1 Inhalation
Acute Tox. 4 Oral
Aquatic Chronic 3
Met. Corr. 1
Skin Corr. 1A
Skin Sens. 1
Toxicity
rat,LC50,inhalation,240ppm/4H (240ppm),SKIN AND APPENDAGES (SKIN): HAIR: OTHERGASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDSBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. OTS0539748,

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