CAS No.16400-13-8,4-HYDROXY-7-METHYLINDANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16400-13-8
Name:	4-HYDROXY-7-METHYLINDANE
Article Data:	6

Formula:	C₁₀H₁₂O
Molecular Weight:	148.205
Synonyms:	4-Indanol,7-methyl- (6CI,7CI,8CI);4-Hydroxy-7-methylindan;7-Methyl-4-indanol;
EINECS:	240-450-7
Density:	1.112 g/cm³
Melting Point:	82 °C
Boiling Point:	261.9 °C at 760 mmHg
Flash Point:	117.6 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	2.18930

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Specification

The 1H-Inden-4-ol,2,3-dihydro-7-methyl-, with the CAS registry number 16400-13-8, is also known as 7-Methylindan-4-ol. Its EINECS registry number is 240-450-7. This chemical's molecular formula is C₁₀H₁₂O and molecular weight is 148.20168. Its IUPAC name is called 7-methyl-2,3-dihydro-1H-inden-4-ol. The product should be sealed and stored in dry and well-ventilated place.

Physical properties of 1H-Inden-4-ol,2,3-dihydro-7-methyl-: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 125.36; (6)ACD/BCF (pH 7.4): 125.3; (7)ACD/KOC (pH 5.5): 1105.29; (8)ACD/KOC (pH 7.4): 1104.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 45.13 cm³; (14)Molar Volume: 133.2 cm³; (15)Surface Tension: 45.5 dyne/cm; (16)Density: 1.112 g/cm³; (17)Flash Point: 117.6 °C; (18)Enthalpy of Vaporization: 51.98 kJ/mol; (19)Boiling Point: 261.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00692 mmHg at 25°C.

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, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2CCCC2=C(C=C1)O
(2)InChI: InChI=1S/C10H12O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h5-6,11H,2-4H2,1H3
(3)InChIKey: XHMLXYGITDAGDN-UHFFFAOYSA-N