1-acetoxy-1,3-butadiene
Names
[ CAS No. ]:
1515-76-0
[ Name ]:
1-acetoxy-1,3-butadiene
[Synonym ]:
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
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
MSDS
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 DATA
ACUTE 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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
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)