China (Mainland)
Acetic acid,2-(3,4-dimethylphenoxy)- CAS NO.13335-73-4
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- Product Details
Keywords
- (3,4-Dimethylphenoxy)acetic acid
- Aceticacid, (3,4-dimethylphenoxy)- (9CI)
- Acetic acid, (3,4-xylyloxy)- (6CI,7CI,8CI)
Quick Details
- ProName: Acetic acid,2-(3,4-dimethylphenoxy)-
- CasNo: 13335-73-4
- Application: The Acetic acid,2-(3,4-dimethylphenoxy...
- ProductionCapacity: Metric Ton/Day
- Purity: 99
- LimitNum: 0 Metric Ton
Superiority
The Acetic acid,2-(3,4-dimethylphenoxy)-, with CAS registry number 13335-73-4, belongs to the following product category: Phenoxyacetic Acids and Alcohols (substituted). It has the systematic name of (3,4-dimethylphenoxy)acetic acid. And the chemical formula of this chemical is C10H12O3. What's more, its EINECS is 236-386-4.
Physical properties of Acetic acid,2-(3,4-dimethylphenoxy)-: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)2.26 ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 48.77 cm3; (14)Molar Volume: 157.1 cm3; (15)Polarizability: 19.33×10-24cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.146 g/cm3; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 323.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000107 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Acetic acid,2-(3,4-dimethylphenoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(O)COc1cc(c(cc1)C)C
(2)InChI: InChI=1/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: GIEQJKZWTIFEJM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(5)Std. InChIKey: GIEQJKZWTIFEJM-UHFFFAOYSA-N
Details
The Acetic acid,2-(3,4-dimethylphenoxy)-, with CAS registry number 13335-73-4, belongs to the following product category: Phenoxyacetic Acids and Alcohols (substituted). It has the systematic name of (3,4-dimethylphenoxy)acetic acid. And the chemical formula of this chemical is C10H12O3. What's more, its EINECS is 236-386-4.
Physical properties of Acetic acid,2-(3,4-dimethylphenoxy)-: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.01; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)2.26 ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 48.77 cm3; (14)Molar Volume: 157.1 cm3; (15)Polarizability: 19.33×10-24cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.146 g/cm3; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 323.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000107 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Acetic acid,2-(3,4-dimethylphenoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(O)COc1cc(c(cc1)C)C
(2)InChI: InChI=1/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(3)InChIKey: GIEQJKZWTIFEJM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H12O3/c1-7-3-4-9(5-8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
(5)Std. InChIKey: GIEQJKZWTIFEJM-UHFFFAOYSA-N