InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

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Search term: OWBTYPJTUOEWEK-UHFFFAOYAE
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Inherent Properties, Identifiers and References

ChemSpider ID:	21106093
Empirical Formula:	C₄H₁₀O₂
Molecular Weight:	90.121
Nominal Mass:	90 Da
Average Mass:	90.121 Da
Monoisotopic Mass:	90.06808 Da

Systematic Name:

butane-2,3-diol

SMILES:

CC(O)C(C)O

InChI:

InChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

InChIKey:

OWBTYPJTUOEWEK-UHFFFAOYAE

Std. InChI:

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3

Std. InChIKey:

OWBTYPJTUOEWEK-UHFFFAOYSA-N

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Supplemental Information

User Data

experimental physchem properties

Melting Point: 32 - 34 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Melting Point: 25 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

miscellaneous

Appearance: viscous colourless liquid

Visual appearance of the given substance.

Appearance: viscous colourless liquid, or colourless to white solid

Visual appearance of the given substance.

Stability: Stable. Combustible. Incompatible with strong oxidizing agents.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Stability: Stable. Combustible. Incompatible with strong oxidizing agents,acid anhydrides, acid chlorides, chloroformates, reducing agents.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Toxicity: IPR-MUS LD50 6075 mg kg-1

Toxicity is the degree to which something is able to produce illness or damage to an exposed organism. See also: Toxicity and list of used abbreviations.

Safety: Minimize exposure.

See Chemical Safety

Safety: Safety glasses.

See Chemical Safety

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2,3-Butandiol

2,3-butanediol

Butane-2,3-diol

(R,S)-butane-2,3-diol

2,3-Butylene glycol

2,3-Butyleneglycol

2,3-Dihydroxybutane

208-173-6 [EINECS/ELINCS]

513-85-9 [RN]

5341-95-7 [RN]

More...

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/Labs Predicted Properties

ACD/LogP:		# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	2	#H bond donors:	2
#Freely Rotating Bonds:	3	Polar Surface Area:	40.46 Å²
Index of Refraction:	1.434	Molar Refractivity:	23.56 cm³
Molar Volume:	90.3 cm³	Polarizability:	9.34 10^-24cm³
Surface Tension:	34.8 dyne/cm	Density:	0.997 g/cm³
Flash Point:	85 °C	Enthalpy of Vaporization:	48.54 kJ/mol
Boiling Point:	180.7 °C at 760 mmHg	Vapour Pressure:	0.26 mmHg at 25°C