Introduction：Basic information about CAS 1515-76-0|1-acetoxy-1,3-butadiene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-acetoxy-1,3-butadiene |
|---|
| CAS Number | 1515-76-0 | Molecular Weight | 112.12700 |
|---|
| Density | 0.96 g/mL at 20 °C(lit.) | Boiling Point | 60-61 °C40 mm Hg(lit.) |
|---|
| Molecular Formula | C6H8O2 | Melting Point | / |
|---|
| MSDS | USA | Flash Point | 92 °F |
|---|
| Symbol |
GHS02, GHS06 | Signal Word | Danger |
|---|
Names
| Name | 1-acetoxy-1,3-butadiene |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 0.96 g/mL at 20 °C(lit.) |
|---|
| Boiling Point | 60-61 °C40 mm Hg(lit.) |
|---|
| Molecular Formula | C6H8O2 |
|---|
| Molecular Weight | 112.12700 |
|---|
| Flash Point | 92 °F |
|---|
| Exact Mass | 112.05200 |
|---|
| PSA | 26.30000 |
|---|
| LogP | 1.24920 |
|---|
| Vapour Pressure | 5.97mmHg at 25°C |
|---|
| Index of Refraction | n20/D 1.47 |
|---|
| InChIKey | NMQQBXHZBNUXGJ-SNAWJCMRSA-N |
|---|
| SMILES | C=CC=COC(C)=O |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- EJ1225000
- CHEMICAL NAME :
- 1,3-Butadien-1-ol, acetate
- CAS REGISTRY NUMBER :
- 1515-76-0
- BEILSTEIN REFERENCE NO. :
- 1743394
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C6-H8-O2
- MOLECULAR WEIGHT :
- 112.14
- WISWESSER LINE NOTATION :
- 1VO1U2U1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 710 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
- TYPE OF TEST :
- LCLo - Lowest published lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 63 ppm/4H
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 420 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
|
Safety Information
| Symbol |
GHS02, GHS06 |
|---|
| Signal Word | Danger |
|---|
| Hazard Statements | H226-H302-H311-H315-H319-H335 |
|---|
| Precautionary Statements | P210-P280-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235 |
|---|
| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|
| Hazard Codes | Xn: Harmful; |
|---|
| Risk Phrases | 10-21/22-36/37/38 |
|---|
| Safety Phrases | S26-S36/37 |
|---|
| RIDADR | UN 1992 3/PG 3 |
|---|
| WGK Germany | 3 |
|---|
| RTECS | EJ1225000 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 3 |
|---|
| HS Code | 2915390090 |
|---|
Customs
| HS Code | 2915390090 |
|---|
| Summary | 2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0% |
|---|
Articles12
More Articles
J. Chem. Soc. Perkin Trans. I , 1925, (1993)
| |
| Preparation of functionalized juglone acetates and juglones via 1, 4-dimethoxynaphthalene derivatives: synthesis of anthraquinones related to rhein and aloe-emodin. Bloomer JL, et al. J. Org. Chem. 58(27) , 7906, (1993)
| |
J. Org. Chem. 58 , 7146, (1993)
| |
Synonyms
| Butadienyl acetate |
| 2-acetoxybutadiene |
| Acetic acid-1,3-butadienyl |
| EINECS 216-159-6 |
| 1,3-BUTADIENYL ACETATE |
| 1-acetoxybutadiene |
| 1-Acetoxy-1,3-butadiene |
| trans-1-acetoxybutadiene |
| monoacetoxy-1,3-butadiene |
| 1,3-BUTADIEN-1-YL ACETATE |
| 1,3-butadien-1-ol,acetate |
| MFCD00008714 |
| 1-acetoxy-buta-1,3-diene |
| crotonaldehyde enol acetate |
| 1-acetoxyl-1,3-butadiene |
