CAS No.141-31-1,2-Hydroxyhexanedial Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141-31-1
Name:	2-Hydroxyhexanedial

Formula:	C₆H₁₀O₃
Molecular Weight:	130.144
Synonyms:	2-Hydroxyadipaldehyde;2-Hydroxyadipic dialdehyde;2-Hydroxyhexanedial;NSC 11064;α-Hydroxyadipaldehyde;
EINECS:	205-479-1
Density:	1.084 g/cm³
Melting Point:	-3.4°C
Boiling Point:	230.682 °C at 760 mmHg
Flash Point:	107.588 °C
PSA:	54.37000
LogP:	-0.08460

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Specification

The 2-Hydroxyhexanedial, with the CAS registry number 141-31-1 and EINECS registry number 205-479-1, is also called 2-Hydroxyadipaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₁₀O₃.

The physical properties of 2-Hydroxyhexanedial are as followings: (1)ACD/LogP: -0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.71; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.78; (8)ACD/KOC (pH 7.4): 9.78; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 31.71 cm³; (15)Molar Volume: 120 cm³; (16)Polarizability: 12.57×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 1.083 g/cm³; (19)Flash Point: 107.6 °C; (20)Enthalpy of Vaporization: 54.33 kJ/mol; (21)Boiling Point: 230.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0123 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(O)CCCC=O
(2)InChI: InChI=1/C6H10O3/c7-4-2-1-3-6(9)5-8/h4-6,9H,1-3H2
(3)InChIKey: WWMIMRADNBGDHP-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LCLo	inhalation	1500ppm/14H (1500ppm)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.
mouse	LD50	oral	6gm/kg (6000mg/kg)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.
rabbit	LD50	skin	> 20mL/kg (20mL/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat	LCLo	inhalation	3000ppm/4H (3000ppm)	Shell Chemical Company. Unpublished Report. Vol. -, Pg. 5, 1961.
rat	LD50	oral	17gm/kg (17000mg/kg)	AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.