Products Categories
CAS No.: | 13398-94-2 |
---|---|
Name: | 3-HYDROXYPHENETHYL ALCOHOL |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H10O2 |
Molecular Weight: | 138.166 |
Synonyms: | Phenethylalcohol, m-hydroxy- (7CI,8CI);1,3-Tyrosol;2-(3-Hydroxyphenyl)ethanol;2-(3-Hydroxyphenyl)ethyl alcohol;2-(m-Hydroxyphenyl)ethanol;3-(2-Hydroxyethyl)phenol;3-(b-Hydroxyethyl)phenol;3-Hydroxybenzeneethanol;m-Hydroxyphenethyl alcohol;NSC 101846; |
EINECS: | 236-485-2 |
Density: | 1.168 g/cm3 |
Boiling Point: | 332.9 °C at 760 mmHg |
Flash Point: | 144.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 40.46000 |
LogP: | 0.92700 |
What can I do for you?
Get Best Price
The Benzeneethanol,3-hydroxy- with CAS registry number of 13398-94-2 is also known as 3-Hydroxyphenethyl alcohol. The IUPAC name is 3-(2-Hydroxyethyl)phenol. Its EINECS registry number is 236-485-2. In addition, the formula is C8H10O2 and the molecular weight is 138.16. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzeneethanol,3-hydroxy- are: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.62; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.75; (6)ACD/BCF (pH 7.4): 1.75; (7)ACD/KOC (pH 5.5): 51.97; (8)ACD/KOC (pH 7.4): 51.81; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 39.21 cm3; (14)Molar Volume: 118.1 cm3; (15)Surface Tension: 50.8 dyne/cm; (16)Density: 1.168 g/cm3; (17)Flash Point: 144.5 °C; (18)Enthalpy of Vaporization: 60.77 kJ/mol; (19)Boiling Point: 332.9 °C at 760 mmHg; (20)Vapour Pressure: 5.61E-05 mmHg at 25 °C.
Preparation of Benzeneethanol,3-hydroxy-: it is prepared by reaction of 3-hydroxy-benzeneacetic acid, methyl ester. The reaction needs reagent NaBH4 and solvent H2O for 2 hours. The yield is about 98 %.
Uses of Benzeneethanol,3-hydroxy-: it is used to produce methyl 3-(2-hydroxyethyl)phenoxyacetate by reaction with methyl 3-(2-hydroxyethyl)phenoxyacetate. The reaction occurs with reagents K2CO3, KI and solvent dimethylformamide at the temperature of 130 °C for 22 hours. The yield is about 44 %.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC(=C1)O)CCO
2. InChI: InChI=1S/C8H10O2/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,9-10H,4-5H2
3. InChIKey: AMQIPHZFLIDOCB-UHFFFAOYSA-N