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Basic Information
CAS No.: 3577-82-0
Name: 1-CHLORO-5-METHOXY-2-PENTENE
Molecular Structure:
Molecular Structure of 3577-82-0 (1-CHLORO-5-METHOXY-2-PENTENE)
Formula: C6H11ClO
Molecular Weight: 134.606
Synonyms: Ether,5-chloro-3-pentenyl methyl (6CI,7CI,8CI);1-Chloro-5-methoxy-2-pentene;NSC163895;
Density: 0.968 g/cm3
Boiling Point: 170.2 °C at 760 mmHg
Flash Point: 64 °C
PSA: 9.23000
LogP: 1.81790
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    CAS: 3577-82-0 MF: C6H11ClO MW: 134.607

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Specification

The 2-Pentene,1-chloro-5-methoxy-, with the CAS registry number 3577-82-0, is also known as 1-Chloro-5-methoxy-2-pentene. This chemical's molecular formula is C6H11ClO and molecular weight is 134.60394. Its IUPAC name is called (E)-1-chloro-5-methoxypent-2-ene.

Physical properties of 2-Pentene,1-chloro-5-methoxy-: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 8.5; (5)ACD/BCF (pH 7.4): 8.5; (6)ACD/KOC (pH 5.5): 161.03; (7)ACD/KOC (pH 7.4): 161.03; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.438; (11)Molar Refractivity: 36.49 cm3; (12)Molar Volume: 138.9 cm3; (13)Surface Tension: 26.8 dyne/cm; (14)Density: 0.968 g/cm3; (15)Flash Point: 64 °C; (16)Enthalpy of Vaporization: 38.99 kJ/mol; (17)Boiling Point: 170.2 °C at 760 mmHg; (18)Vapour Pressure: 1.97 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COCCC=CCCl
(2)Isomeric SMILES: COCC/C=C/CCl
(3)InChI: InChI=1S/C6H11ClO/c1-8-6-4-2-3-5-7/h2-3H,4-6H2,1H3/b3-2+
(4)InChIKey: SJZGFAXZLBJENP-NSCUHMNNSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05207,