2-Hydroxyhexanal supplier | CasNO.41472-84-8

Name
2-Hydroxyhexanal
EINECS
CAS No. 41472-84-8
Article Data7
CAS DataBase
Density 0.946 g/cm³
Solubility
Melting Point
Formula C₆H₁₂O₂
Boiling Point 168.4 °C at 760 mmHg
Molecular Weight 116.16
Flash Point 61.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-01-00-03228 (Beilstein Handbook Reference);Hexanal, 2-hydroxy-;2-hydroxy caproaldehyde;
PSA
LogP

2-Hydroxyhexanal Specification

The IUPAC name of this chemical is 2-Hydroxyhexanal. With the CAS registry number 41472-84-8, it is also named as Hexanal, 2-hydroxy-. In addition, the molecular formula is C₆H₁₂O₂ and the molecular weight is 116.158. It is soluble in ethanol, ethyl ether, benzene and acetic acid. And it can be prepared by methanol or ethanol. What's more, it should be stored in a airtight, cool and dry place.

Physical properties about 2-Hydroxyhexanal are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 3.33; (6)ACD/BCF (pH 7.4): 3.33; (7)ACD/KOC (pH 5.5): 82.26; (8)ACD/KOC (pH 7.4): 82.26; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 31.52 cm³; (15)Molar Volume: 122.7 cm³; (16)Polarizability: 12.49 ×10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 0.946 g/cm³; (19)Flash Point: 61.9 °C; (20)Enthalpy of Vaporization: 47.14 kJ/mol; (21)Boiling Point: 168.4 °C at 760 mmHg; (22)Vapour Pressure: 0.53 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(O)CCCC
(2)InChI: InChI=1/C6H12O2/c1-2-3-4-6(8)5-7/h5-6,8H,2-4H2,1H3
(3)InChIKey: BRZMRZVKWQWYPJ-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	598mg/kg (598mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Yukagaku. Oil Chemistry. Vol. 26, Pg. 169, 1977.

Product Name

2-Hydroxyhexanal

2-Hydroxyhexanal Specification

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