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79-77-6

Name 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
CAS 79-77-6
EINECS(EC#) 201-224-3
Molecular Formula C13H20O
MDL Number MFCD00001549
Molecular Weight 192.3
MOL File 79-77-6.mol
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Chemical Properties

Melting point  -49°C
Boiling point  126-128 °C12 mm Hg(lit.)
density  0.945 g/mL at 25 °C(lit.)
vapor pressure  <1 hPa (25 °C)
FEMA  2595 | BETA-IONONE
refractive index  n20/D 1.52(lit.)
Fp  230 °F
storage temp.  2-8°C
solubility  0.11g/l insoluble
form  Oil
color  Clear Colorless to Light Yellow
Odor at 10.00 % in dipropylene glycol. dry powdery floral woody orris berry seedy
Odor Type floral
Water Solubility  Soluble in water (0.11 mg/mI at 20°C).
JECFA Number 389
Merck  14,5056
BRN  1909544
Dielectric constant 12.0（20℃）
Stability: Light Sensitive
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
LogP 4 at 25℃
CAS DataBase Reference 79-77-6(CAS DataBase Reference)
NIST Chemistry Reference 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-(79-77-6)
EPA Substance Registry System 79-77-6(EPA Substance)
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Safety Data

Hazard Codes  Xi,N
Risk Statements 
R38:Irritating to the skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36:Irritating to the eyes.
Safety Statements 
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  UN 3082 9/PG 3
WGK Germany  2
RTECS  EN0500000
TSCA  Yes
HS Code  29142990
Toxicity
LD50 orally in Rabbit: 2920 mg/kg

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