3-Benzylidene-2,4-pentanedione

Names

[ Name ]:
3-Benzylidene-2,4-pentanedione

[Synonym ]:
3-benzylidene-pentane-2,4-dione
Benzalacetylacetone
2,4-Pentanedione,3-(phenylmethylene)
MFCD00014990
3-Benzylideneacetylacetone
3-(Phenylmethylene)pentane-2,4-dione
1,1-Diacetyl-2-phenylethylene
2-Acetyl-1-phenyl but-1-en-3-one
1,1-bisacetyl-2-phenylethylene
EINECS 224-382-5
3-benzylidene-2,4-pentanedione
3-benzylidiene-2,4-pentanedione
u1r
Benzylidene acetylacetone

Chemical & Physical Properties

[ Density]:
1.081 g/mL at 25 °C(lit.)

[ Boiling Point ]:
185-188 °C15 mm Hg(lit.)

[ Molecular Formula ]:
C₁₂H₁₂O₂

[ Molecular Weight ]:
188.22200

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
188.08400

[ PSA ]:
34.14000

[ LogP ]:
2.24800

[ Index of Refraction ]:
n20/D 1.583(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA1930000

CHEMICAL NAME :: 2,4-Pentanedione, 3-benzylidene-

CAS REGISTRY NUMBER :: 4335-90-4

BEILSTEIN REFERENCE NO. :: 0972849

LAST UPDATED :: 199712

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H12-O2

MOLECULAR WEIGHT :: 188.24

WISWESSER LINE NOTATION :: 1VYV1&U1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#08898

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
SA1930000

[ HS Code ]:
2914399090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2914399090

[ Summary ]:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%