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81028-03-7

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Basic Information
CAS No.: 81028-03-7
Name: CIS-4-BENZYLOXY-2-BUTEN-1-OL
Article Data: 99
Molecular Structure:
Molecular Structure of 81028-03-7 (CIS-4-BENZYLOXY-2-BUTEN-1-OL)
Formula: C11H14O2
Molecular Weight: 178.231
Synonyms: 2-Buten-1-ol,4-(phenylmethoxy)-, (Z)-;(2Z)-4-(Phenylmethoxy)-2-buten-1-ol;(Z)-4-Benzyloxy-2-buten-1-ol;O-Monobenzyl cis-2-butenediol;O-Monobenzylcis-2-butenediol;Z-4-Benzyloxy-2-butene-1-ol;cis-4-Benzyloxy-2-buten-1-ol;
Density: 1.053 g/cm3
Boiling Point: 332.4 °C at 760 mmHg
Flash Point: 126.6 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 29.46000
LogP: 1.75170
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Specification

The 2-Buten-1-ol, 4-(phenylmethoxy)-, (2Z)-, with the CAS registry number 81028-03-7, is also known as cis-4-Benzyloxy-2-buten-1-ol. This chemical's molecular formula is C11H14O2 and molecular weight is 178.23. What's more, its systematic name is (2Z)-4-(Benzyloxy)but-2-en-1-ol. In addition, it must be stored at 2-8 °C.

Physical properties about 2-Buten-1-ol, 4-(phenylmethoxy)-, (2Z)- are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.78; (6)ACD/BCF (pH 7.4): 18.78; (7)ACD/KOC (pH 5.5): 284; (8)ACD/KOC (pH 7.4): 284; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 53.03 cm3; (15)Molar Volume: 169.2 cm3; (16)Polarizability: 21.02×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 126.6 °C; (20)Enthalpy of Vaporization: 60.71 kJ/mol; (21)Boiling Point: 332.4 °C at 760 mmHg; (22)Vapour Pressure: 5.84E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OC\C=C/COCc1ccccc1
(2) InChI: InChI=1/C11H14O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-7,12H,8-10H2/b5-4-
(3) InChIKey: CGLJRLXTVXHOLX-PLNGDYQABP