2-Buten-1-ol,4-(phenylmethoxy)-, (2Z)- supplier

Name
CIS-4-BENZYLOXY-2-BUTEN-1-OL
EINECS
CAS No. 81028-03-7
Article Data99
CAS DataBase
Density 1.053 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₂
Boiling Point 332.4 °C at 760 mmHg
Molecular Weight 178.231
Flash Point 126.6 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 29.46000
LogP 1.75170

2-Buten-1-ol,4-(phenylmethoxy)-, (2Z)- 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

Product Name

CIS-4-BENZYLOXY-2-BUTEN-1-OL

2-Buten-1-ol,4-(phenylmethoxy)-, (2Z)- Specification

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