CasNo.4942-47-6,1-Adamantaneacetic acid,1-Adamantaneacetic acid(4942-47-6) Suppliers

1 Kilogram	Negotiable

Min.Order :1 Kilogram
Purity: 98%
Payment Terms : T/T,

Keywords

4942-47-6 1-Adamantaneacetic acid adamantane

Quick Details

Appearance:white to off-white crystalline powder or crystals
Application:4942-47-6
PackAge:25kg
ProductionCapacity:2|Metric Ton|Month
Storage:AMB
Transportation:4942-47-6

Superiority:

Molecule structure of 1-Adamantaneacetic acid (CAS NO.4942-47-6):

IUPAC Name: 2-(1-Adamantyl)acetic acid
Molecular Weight: 194.27012 g/mol
Molecular Formula: C₁₂H₁₈O₂
Density: 1.167 g/cm³
Melting Point: 134-137 °C(lit.)
Boiling Point: 319.2 °C at 760 mmHg
Flash Point: 163 °C
Index of Refraction: 1.55
Molar Refractivity: 53.01 cm³
Molar Volume: 166.4 cm³
Surface Tension: 52 dyne/cm
Enthalpy of Vaporization: 61.65 kJ/mol
Vapour Pressure: 7.23E-05 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 194.13068
MonoIsotopic Mass: 194.13068
Topological Polar Surface Area: 37.3
Heavy Atom Count: 14
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)O
InChI: InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
InChIKey: AOTQGWFNFTVXNQ-UHFFFAOYSA-N
EINECS: 225-585-1
Product Categories: cyclic compounds; Adamantane derivatives; Adamantanes

Details:

Molecule structure of 1-Adamantaneacetic acid (CAS NO.4942-47-6):

IUPAC Name: 2-(1-Adamantyl)acetic acid
Molecular Weight: 194.27012 g/mol
Molecular Formula: C₁₂H₁₈O₂
Density: 1.167 g/cm³
Melting Point: 134-137 °C(lit.)
Boiling Point: 319.2 °C at 760 mmHg
Flash Point: 163 °C
Index of Refraction: 1.55
Molar Refractivity: 53.01 cm³
Molar Volume: 166.4 cm³
Surface Tension: 52 dyne/cm
Enthalpy of Vaporization: 61.65 kJ/mol
Vapour Pressure: 7.23E-05 mmHg at 25 °C
XLogP3-AA: 3.2
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 194.13068
MonoIsotopic Mass: 194.13068
Topological Polar Surface Area: 37.3
Heavy Atom Count: 14
Canonical SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)O
InChI: InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
InChIKey: AOTQGWFNFTVXNQ-UHFFFAOYSA-N
EINECS: 225-585-1
Product Categories: cyclic compounds; Adamantane derivatives; Adamantanes

Hazard Codes: Irritant Xi, Harmful Xn, F
Risk Statements: 36/37/38-15-10
R36/37/38:Irritating to eyes, respiratory system and skin.
R15:Contact with water liberates extremely flammable gases.
R10:Flammable.
Safety Statements: 22-24/25-43-7/8
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S43:In case of fire use ... (there follows the type of fire-fighting equipment to be used.)
S7:Keep container tightly closed.
S8:Keep container dry.
WGK Germany: 3
HazardClass: IRRITANT

1-Adamantaneacetic acid (CAS NO.4942-47-6) is also named as Adamantan-1-ylacetic acid ; tricyclo[3.3.1.1~3,7~]decane-1-acetic acid ; 2-(1-adamantyl)acetic acid ; Tricyclo(3.3.1.13,7)dec-1-ylacetic acid ; Tricyclo[3.3.1.1(3,7)-]decane-1-acetic acid . 1-Adamantaneacetic acid (CAS NO.4942-47-6) is white to off-white crystalline powder or crystals.