ChemicalBook--->CAS DataBase List--->6920-22-5

6920-22-5

6920-22-5 Structure

6920-22-5 Structure
IdentificationMore
[Name]

DL-1,2-Hexanediol
[CAS]

6920-22-5
[Synonyms]

1,2-DIHYDROXYHEXANE
1,2-HEXANEDIOL
1,2-HEXYLENE GLYCOL
DL-1,2-HEXANEDIOL
dl-hexane-1,2-diol
HDO
DL-1,2-Hexanediol, 98+%
1,2-HEXANEDIOL, 98.5%
DL-Hexan-1,2-diol
hexane-1,2-diol
DL-1,2-Hexanediol, GC 98%
5,6-Dihydroxyhexane
(2R)-1,2-Hexanediol
[EINECS(EC#)]

230-029-6
[Molecular Formula]

C6H14O2
[MDL Number]

MFCD00010737
[Molecular Weight]

118.17
[MOL File]

6920-22-5.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLORLESS TO LIGHT YELLOW LIQUID
[Melting point ]

45°C
[alpha ]

[α]D20 -0.3~+0.3゜ (neat)
[Boiling point ]

223-224 °C (lit.)
[density ]

0.951 g/mL at 25 °C(lit.)
[vapor pressure ]

0.576Pa at 25℃
[refractive index ]

n20/D 1.442(lit.)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[pka]

14.49±0.20(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

0.951
[Odor]

at 100.00?%. bland
[Water Solubility ]

Miscible with water, lower aliphatic hydrocarbons and fatty acids.
[Sensitive ]

Hygroscopic
[BRN ]

1719244
[Henry's Law Constant]

1.7×103 mol/(m3Pa) at 25℃, Compernolle and Müller (2014)
[Cosmetics Ingredients Functions]

SKIN CONDITIONING
SOLVENT
[Cosmetic Ingredient Review (CIR)]

1,2-Hexanediol (6920-22-5)
[InChI]

1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
[InChIKey]

FHKSXSQHXQEMOK-UHFFFAOYSA-N
[SMILES]

CCCCC(O)CO
[LogP]

0.58 at 25℃
[Surface tension]

24.1mN/m at 293.15K
[Uses]

1,2-hexanediol is a solvent used to dissolve other compounds in a formulation.
[CAS DataBase Reference]

6920-22-5(CAS DataBase Reference)
[EPA Substance Registry System]

6920-22-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

2
[F ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29053990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hexanoic acid-->Lithium Aluminum Hydride-->2-Hydroxyhexanoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

DL-1,2-Hexanediol(6920-22-5).msds
Hazard InformationBack Directory
[Description]

1,2-Hexanediol(6920-22-5) is a linear aliphatic diol with a carbon chain length containing six carbons. It is a synthetic preservative and moisture-binding agent belonging to a class of agents known as higher molecular glycols. It is considered non-sensitizing. It is ideal for use as an emollient, humectant, and wetting agent in cosmetic and skin care products.
[Chemical Properties]

clear colorless to light yellow liquid.
[Physical properties]

1,2-Hexanediol appears as a colorless, viscous liquid with a mild odor. Its density is 0.951 g/cm3 at 25°C, boiling point is 223-224°C, melting point is 2°C, flash point is 122°C (closed cup), refractive index (20°C) is 1.410-1.430, and it is completely miscible with water.
[Application]

1,2-Hexanediol has an antibacterial effect. Other uses are in ink-jet inks, fuel and lubricant additives.
[Preparation]

1,2-Hexanediol was prepared in about 45% over-all yield by a-bromination of caproic acid, hydrolysis to a-hydroxycaproic acid, and reduction with lithium aluminum hydride.
Using the oxidant of H2O2, the organic acid is oxidized to peroxyacid, and the peroxyacid then epoxidizes the olefin double bond, and finally hydrolyzes to obtain 1,2-hexanediol.
[benefits]

1,2 hexanediol is most commonly used as a solvent in skincare formulation. It pulls the moisture up from the deeper levels of the skin, as well as from the air, to help keep the top layers of your skin from drying out. This makes It very effective at keeping your skin hydrated and providing long-term moisture. It can also help to disperse pigments more evenly in makeup products and boost the antimicrobial activity of preservatives.
[General Description]

1,2-Hexanediol acts as cosurfactant, used for modifying the sodium dodecyl sulfate micelles. Solubility of 1,2-hexanediol in supercritical CO2 has been reported. It has a tendency of self-association to form micelle-like aggregates.
[Flammability and Explosibility]

Nonflammable
[Safety]

1,2 hexanediol has been proven to be a completely safe and non-irritating ingredient. In an in-use safety evaluation for skin irritation and sensitization potential, 28 participants (males and females) were instructed to use a body wash containing 0.15% 1,2- hexanediol for a minimum of 3 times per week over a 30-day period. There was no evidence of erythema, edema, or dryness of application sites in any of the participants, and it was concluded that the product did not demonstrate a potential for eliciting skin irritation or sensitization.?
[Purification Methods]

Fractionally distil it, preferably in a vacuum. Alternatively, dissolve it in Et2O, dry with K2CO3 then Na2SO4, filter, evaporate and distil it in a vacuum. The bis-4-nitrobenzoyl derivative has m 101.5-102.5o. [Rudloff Can J Chem 36 486 1958, Beilstein 1 I 251, 1 III 2200, 1 IV 2554.]
Spectrum DetailBack Directory
[Spectrum Detail]

DL-1,2-Hexanediol(6920-22-5)MS
DL-1,2-Hexanediol(6920-22-5)1HNMR
DL-1,2-Hexanediol(6920-22-5)13CNMR
DL-1,2-Hexanediol(6920-22-5)IR1
DL-1,2-Hexanediol(6920-22-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-1,2-Hexanediol, 98+%(6920-22-5)
[Alfa Aesar]

1,2-Hexanediol, 97%(6920-22-5)
[Sigma Aldrich]

6920-22-5(sigmaaldrich)
[TCI AMERICA]

1,2-Hexanediol,>96.0%(GC)(6920-22-5)
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