Introduction：Basic information about CAS 4335-90-4|3-Benzylidene-2,4-pentanedione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Benzylidene-2,4-pentanedione |
|---|
| CAS Number | 4335-90-4 | Molecular Weight | 188.22200 |
|---|
| Density | 1.081 g/mL at 25 °C(lit.) | Boiling Point | 185-188 °C15 mm Hg(lit.) |
|---|
| Molecular Formula | C12H12O2 | Melting Point | / |
|---|
| MSDS | Chinese | Flash Point | >230 °F |
|---|
| Symbol |
GHS07 | Signal Word | Warning |
|---|
Names
| Name | 3-benzylidenepentane-2,4-dione |
|---|
| Synonym | More Synonyms |
|---|
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.) |
|---|
| InChIKey | NYRGMNMVISROGJ-UHFFFAOYSA-N |
|---|
| SMILES | CC(=O)C(=Cc1ccccc1)C(C)=O |
|---|
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 DATAACUTE 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 |
|---|
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% |
|---|
Synonyms
| 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 |
