-
Name
3-Benzyloxy-1-propanol
- EINECS
- CAS No. 4799-68-2
- Article Data150
- CAS DataBase
- Density 1.044 g/cm3
- Solubility
- Melting Point 38oC
- Formula C10H14O2
- Boiling Point 274.3 °C at 760 mmHg
- Molecular Weight 166.22
- Flash Point 126.9 °C
- Transport Information
- Appearance Colorless viscous liquid
- Safety 26-37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1-Propanol,3-(benzyloxy)- (6CI,7CI,8CI);1,3-Propanediol monobenzyl ether;1-(Benzyloxy)-3-propanol;3-(Phenylmethoxy)-1-propanol;3-Benzyloxypropanol;3-[(Phenylmethyl)oxy]propan-1-ol;NSC 406922;
- PSA 29.46000
- LogP 1.58560
3-Benzyloxy-1-propanol Specification
The IUPAC name of 1-Propanol,3-(phenylmethoxy)- is 3-phenylmethoxypropan-1-ol. With the CAS registry number 4799-68-2, it is also named as 3-(Benzyloxy)propan-1-ol. The product's categories are alcohols; anisoles, alkyloxy compounds & phenylacetates; oxygen compounds. In addition, it is colorless viscous liquid which is used as pharmaceutical intermediate.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.519; (7)Molar Refractivity: 48.34 cm3; (8)Molar Volume: 159.1 cm3; (9)Polarizability: 19.16×10-24 cm3; (10)Surface Tension: 39.8 dyne/cm; (11)Enthalpy of Vaporization: 54.16 kJ/mol; (12)Vapour Pressure: 0.00264 mmHg at 25°C; (13)Rotatable Bond Count: 5; (14)Exact Mass: 166.09938; (15)MonoIsotopic Mass: 166.09938; (16)Topological Polar Surface Area: 29.5; (17)Heavy Atom Count: 12; (18)Complexity: 98.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek imedical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES: O(CCCO)Cc1ccccc1;
2. InChI: InChI=1/C10H14O2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2.
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