(E)-1-chloropent-1-en-3-one

Modify Date: 2025-09-16 06:38:32

(E)-1-chloropent-1-en-3-one Structure
(E)-1-chloropent-1-en-3-one structure
Common Name (E)-1-chloropent-1-en-3-one
CAS Number 58953-12-1 Molecular Weight 118.56100
Density 1.047g/cm3 Boiling Point 161.3ºC at 760 mmHg
Molecular Formula C5H7ClO Melting Point N/A
MSDS N/A Flash Point 59.2ºC

 Names

Name (1E)-1-Chloro-1-penten-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.047g/cm3
Boiling Point 161.3ºC at 760 mmHg
Molecular Formula C5H7ClO
Molecular Weight 118.56100
Flash Point 59.2ºC
Exact Mass 118.01900
PSA 17.07000
LogP 1.71800
Index of Refraction 1.445
InChIKey CFMFGANUEMXVTA-ONEGZZNKSA-N
SMILES CCC(=O)C=CCl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3853500
CHEMICAL NAME :
1-Penten-3-one, 1-chloro-, (E)-
CAS REGISTRY NUMBER :
58953-12-1
LAST UPDATED :
198603
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H7-Cl-O
MOLECULAR WEIGHT :
118.57
WISWESSER LINE NOTATION :
G1U1V2 -T

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
55 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - other changes
REFERENCE :
ATSUDG Archives of Toxicology, Supplement. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) No.1- 1978- Volume(issue)/page/year: 4,421,1980

 Synthetic Route

~81%

(E)-1-chloropent-1-en-3-one Structure

(E)-1-chloropen...

CAS#:58953-12-1

Literature: Li, Lian-Hai; Tius, Marcus A. Organic Letters, 2002 , vol. 4, # 10 p. 1637 - 1640

~%

(E)-1-chloropent-1-en-3-one Structure

(E)-1-chloropen...

CAS#:58953-12-1

Literature: Pillot,J.P. et al. Synthetic Communications, 1979 , vol. 9, p. 395 - 406

~%

(E)-1-chloropent-1-en-3-one Structure

(E)-1-chloropen...

CAS#:58953-12-1

Literature: Hills; McQuillin Journal of the Chemical Society, 1953 , p. 4060,4063

 Synonyms

1-chloro-1-penten-3-one
1-Octen-3-one,1-chloro
1t-Chlor-pent-1-en-3-on
1-chloro-1-octen-3-one
1-chloro-oct-1-en-3-one
1t-chloro-pent-1-en-3-one
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