4-Pentenal

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Names

[ CAS No. ]:
2100-17-6

[ Name ]:
4-Pentenal

[Synonym ]:
Pent-4-enal
MFCD00151841
EINECS 218-265-8
allylacetaldehyde
4-Pentenal
Pent-4-en-1-al
penten-4-al
4-pentenylaldehyde
4-penten-1-al

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
96.8±9.0 °C at 760 mmHg

[ Melting Point ]:
240 °C(lit.)

[ Molecular Formula ]:
C5H8O

[ Molecular Weight ]:
84.116

[ Flash Point ]:
-3.4±7.8 °C

[ Exact Mass ]:
84.057518

[ PSA ]:
17.07000

[ LogP ]:
1.12

[ Vapour Pressure ]:
42.9±0.2 mmHg at 25°C

[ Index of Refraction ]:
1.401

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB1575000
CHEMICAL NAME :
4-Pentenal
CAS REGISTRY NUMBER :
2100-17-6
BEILSTEIN REFERENCE NO. :
1734369
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C5-H8-O
MOLECULAR WEIGHT :
84.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
620 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 :
250 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 :
1590 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

[ Hazard Codes ]:
C

[ Risk Phrases ]:
R10;R20/21/22

[ Safety Phrases ]:
26-36/37/39

[ RIDADR ]:
1989

[ WGK Germany ]:
3

[ RTECS ]:
SB1575000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2912190090

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Penten-1-ol
  • hex-5-ene-1,2-diol
  • 4-Pentenoyl chloride
  • ethyl 4-pentenoate
  • Oxalyl chloride
  • dead
  • Allyl alcohol
  • Ethoxyethene
  • 2-(3-Buten-1-yl)oxirane

DownStream

  • Cyclopentadecanolide
  • Cyclopentanone
  • pent-4-enoic acid pent-4-enyl ester
  • 2-(4-pentenylidene)cyclopentanone
  • 1-Butene
  • (3E)-3,7-Octadiene-2-one
  • methyl 3-methoxyhept-6-enoate
  • 4-Penten-1-ol
  • (1-3H)-4-penten-1-ol
  • 2-Nitrotoluene

Customs

[ HS Code ]: 2912190090

[ Summary ]:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%


Related Compounds

  • 4-Brom-4-pentenal
  • 2-Ethyl-4-pentenal
  • 3-methyl-4-pentenal
  • 2-phenyl-4-pentenal
  • 4-Pentenal,5-chloro
  • 2-Methyl-4-pentenal