CAS No.30199-26-9,XANTHORRHIZOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30199-26-9
Name:	XANTHORRHIZOL
Article Data:	8

Formula:	C₁₅H₂₂O
Molecular Weight:	218.339
Synonyms:	(R)-(-)-Xanthorrhizol;Phenol,5-[(1R)-1,5-dimethyl-4-hexenyl]-2-methyl- (9CI);o-Cresol,5-(1,5-dimethyl-4-hexenyl)-, (-)- (8CI);Phenol,5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-;(R)-5-(1,5-Dimethyl-4-hexenyl)-o-cresol;Phenol, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, (R)-;
EINECS:	250-090-2
Density:	0.948 g/cm³
Boiling Point:	326.9 °C at 760 mmHg
Flash Point:	147.2 °C
Hazard Symbols:	T
Risk Codes:	60
Safety:	53-36/37/39-45
PSA:	20.23000
LogP:	4.55050

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Specification

The Phenol,5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl-, with the CAS registry number 30199-26-9, is also known as (R)-5-(1,5-Dimethyl-4-hexenyl)-o-cresol. Its EINECS number is 250-090-2. This chemical's molecular formula is C₁₅H₂₂O and molecular weight is 218.33. What's more, its systematic name is 2-methyl-5-[(2R)-6-methylhept-5-en-2-yl]phenol. It should be sealed and stored in a cool and dry place.

Physical properties of Phenol,5-[(1R)-1,5-dimethyl-4-hexen-1-yl]-2-methyl- are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 8586.45; (6)ACD/BCF (pH 7.4): 8576.82; (7)ACD/KOC (pH 5.5): 22772.59; (8)ACD/KOC (pH 7.4): 22747.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 70.2 cm³; (15)Molar Volume: 230.1 cm³; (16)Polarizability: 27.83×10^-24cm³; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 0.948 g/cm³; (19)Flash Point: 147.2 °C; (20)Enthalpy of Vaporization: 59.18 kJ/mol; (21)Boiling Point: 326.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00011 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It may impair fertility. When using it, you need wear suitable protective clothing, gloves and eye/face protection. It should be avoided exposure so that you must obtain special instructions before use. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1C)[C@H](C)CC\C=C(/C)C
(2)Std. InChI: InChI=1S/C15H22O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-10,12,16H,5,7H2,1-4H3/t12-/m1/s1
(3)Std. InChIKey: FKWGCEDRLNNZOZ-GFCCVEGCSA-N