1-acetoxy-1,3-butadiene

Modify Date: 2024-01-10 17:31:38

1-acetoxy-1,3-butadiene Structure
1-acetoxy-1,3-butadiene structure
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 N/A
MSDS USA Flash Point 92 °F
Symbol GHS02 GHS06
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

 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
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

~69%

1-acetoxy-1,3-butadiene Structure

1-acetoxy-1,3-b...

CAS#:1515-76-0

Literature: Imagawa, Hiroshi; Saijo, Hayato; Yamaguchi, Hitomi; Maekawa, Ken; Kurisaki, Takahiro; Yamamoto, Hirofumi; Nishizawa, Mugio; Oda, Masataka; Kabura, Michiko; Nagahama, Masahiro; Sakurai, Jun; Kubo, Miwa; Nakai, Megumi; Makino, Kosho; Ogata, Mitsuko; Takahashi, Hironobu; Fukuyama, Yoshiyasu Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 5 p. 2089 - 2093

~55%

1-acetoxy-1,3-butadiene Structure

1-acetoxy-1,3-b...

CAS#:1515-76-0

Literature: Soldermann, Nicolas; Velker, Joerg; Neels, Antonia; Stoeckli-Evans, Helen; Neier, Reinhard Synthesis, 2007 , # 15 p. 2379 - 2387

~56%

1-acetoxy-1,3-butadiene Structure

1-acetoxy-1,3-b...

CAS#:1515-76-0

Literature: Mutti, Stephane; Daubie, Christophe; Malpart, Joel; Radisson, Xavier Tetrahedron Letters, 1996 , vol. 37, # 48 p. 8743 - 8746

~%

1-acetoxy-1,3-butadiene Structure

1-acetoxy-1,3-b...

CAS#:1515-76-0

Literature: Bulletin of the Chemical Society of Japan, , vol. 59, # 3 p. 751 - 756

~%

1-acetoxy-1,3-butadiene Structure

1-acetoxy-1,3-b...

CAS#:1515-76-0

Detail
Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1096 - 1102

~%

1-acetoxy-1,3-butadiene Structure

1-acetoxy-1,3-b...

CAS#:1515-76-0

Literature: Bulletin of the Chemical Society of Japan, , vol. 59, # 3 p. 751 - 756

 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

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J. Org. Chem. 58(27) , 7906, (1993)

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 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
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