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58953-12-1

58953-12-1 structure

58953-12-1 structure

Name: (E)-1-chloropent-1-en-3-one
Chemical Name: (1E)-1-Chloro-1-penten-3-one
CAS Number: 58953-12-1
Molecular Formula: C₅H₇ClO
Molecular Weight: 118.56100
Create Date: 2017-07-25 11:20:13
Modify Date: 2025-09-16 06:38:32

Name	(1E)-1-Chloro-1-penten-3-one
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

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

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

79-03-8 structure

79-03-8

74-86-2 structure

74-86-2

~81%

58953-12-1 structure

58953-12-1

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

35802-68-7 structure

35802-68-7

79-03-8 structure

79-03-8

~%

58953-12-1 structure

58953-12-1

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

75-01-4 structure

75-01-4

79-03-8 structure

79-03-8

~%

58953-12-1 structure

58953-12-1

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

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