Ethanol

Properties, data and information sources.

Contents

Ethanol - here the pure, 100% alcohol - is an organic-chemical compound from the group of aliphatic, monohydric alcohols (alkanols).

Names and Identifiers

Name
Ethanol

Formula
C₂H₆O

Molar mass
46.069 (g/mol)

CAS registry number
64-17-5

EC number EINECS
200-578-6

InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Systematic name
ethanol

Other names, synonyms
Alcohol; Cologne spirit; Ethylic alcohol; Ethyl alcohol; Ethyl hydrate; Ethyl hydroxide; Ethylol; Hydroxyethane; Grain alcohol

Abbreviation
EtOH

INCI name
ALCOHOL

Chemical formulas

Molecular formula and structural formula of Ethanol:

C₂H₆O

M_r = 46.069 g/mol

ethanol
SMILES: CCO

Data and Properties

Pure alcohol is a clear, colorless liquid that has a characteristic wine smell and a burning taste. Ethanol vapors are heavier than air.

solubility:
+ Miscible with water, diethyl ether, chloroform, benzene.
partition coefficient logP = -0.31.

melting point
-114.14 °C

boiling point
78.23 °C

flash point
14.0 °C

ignition temperature
363 °C

density
0.78934 g cm^-3 at 20 °C

pK_a value
pK_1a = 15.9

pK_2a = 29.8 (in DMSO)

vapor pressure
5.95 kPa at 20 °C

viscosity
1.720 mPa.s at 0 °C
1.546 mPa·s at 5 °C
1.394 mPa·s at 10 °C
1.261 mPa·s at 15 °C
1.144 mPa·s at 20 °C
1.040 mPa·s at 25 °C
0.948 mPa·s at 30 °C

surface tension
22.39 dyn/cm at 25 °C

refractive index
n_D = 1.3638 at 20 °C

standard enthalpy of formation
-277.7 kJ/mol [s]
-277.38 kJ/mol (l)
-234.8 kJ/mol (g)

standard entropie
161.0 J/(mol K) [l]

Gibbs free energy
-174.8 kJ/mol [l]

enthalpy of vaporization
42.32 kJ/mol at 25 °C

melting enthalpy
+4.9 kJ/mol

enthalpy of combustion
1336.8 kJ/mol at 25 °C
1336.8 kJ/mol at 25 °C

entropie of combustion
+31 J/(mol K)

heat capacity
112.3 J/(mol K) [l]

calorific value
7.44 kWh/kg
5.87 kWh/l

thermal conductivity
0.1660 W/(m K) [300 K]

critical points
T_k = 240.9 °C
p_k = 6.137 MPa
V_k = 167 cm³mol^-1
ρ_k = 0.276 g cm^-

triple point
-123 °C. 0.00043 Pa

dipole moment
1.69 D

ionization energy
10.47(2) eV
1.010(2) MJ/mol
Δ_f(Ion) = 776 kJ/mol

permittivity
ε₀ = 25.3 at 20 °C
(dielectric constant)

magnetic susceptibility χ
-33.60 × 10^-6 cm³ mol^-1

crystal structure:
Monoclinic crystals, space group Pc, No. 7, lattice parameters a = 537.7 pm, b = 688.2 pm, c = 825.5 pm and β = 102.2°, Z = 4.

Density of Water-Ethanol Solution

The density of a solution of alcohol and water depends on temperature and concentration. The following table lists the density of ethanol solutions in water over a temperature range of 0 to 100 °C in 0.1 ° steps.

Note: All values refer to a temperature of 20 °C. The density values are given in kilograms of alcohol in one liter of water (kg/L).

% alcohol	.0	.1	.2	.3	.4	.5	.6	.7	.8	.9
0	0.99823	0.99804	0.99785	0.99766	0.99748	0.99729	0.99710	0.99692	0.99673	0.99655
1	0.99636	0.99618	0.99599	0.99581	0.99562	0.99544	0.99525	0.99507	0.99489	0.99471
2	0.99453	0.99435	0.99417	0.99399	0.99381	0.99363	0.99345	0.99327	0.99310	0.99292
3	0.99275	0.99257	0.99240	0.99222	0.99205	0.99188	0.99171	0.99154	0.99137	0.99120
4	0.99103	0.99087	0.99070	0.99053	0.99037	0.99020	0.99003	0.98987	0.98971	0.98954
5	0.98938	0.98922	0.98906	0.98890	0.98874	0.98859	0.98843	0.98827	0.98811	0.98796
6	0.98780	0.98765	0.98749	0.98734	0.98718	0.98703	0.98688	0.98673	0.98658	0.98642
7	0.98627	0.98612	0.98597	0.98582	0.98567	0.98553	0.98538	0.98523	0.98508	0.98493
8	0.98478	0.98463	0.98449	0.98434	0.98419	0.98404	0.98389	0.98374	0.98360	0.98345
9	0.98331	0.98316	0.98301	0.98287	0.98273	0.98258	0.98244	0.98229	0.98215	0.98201
10	0.98187	0.98172	0.98158	0.98144	0.98130	0.98117	0.98103	0.98089	0.98075	0.98061
11	0.98047	0.98033	0.98019	0.98006	0.97992	0.97978	0.97964	0.97951	0.97937	0.97923
12	0.97910	0.97896	0.97883	0.97869	0.97855	0.97842	0.97828	0.97815	0.97801	0.97788
13	0.97775	0.97761	0.97748	0.97735	0.97722	0.97709	0.97696	0.97683	0.97670	0.97657
14	0.97643	0.97630	0.97617	0.97604	0.97591	0.97578	0.97565	0.97552	0.97539	0.97526
15	0.97514	0.97501	0.97488	0.97475	0.97462	0.97450	0.97438	0.97425	0.97412	0.97400
16	0.97387	0.97374	0.97361	0.97349	0.97336	0.97323	0.97310	0.97297	0.97284	0.97272
17	0.97259	0.97246	0.97233	0.97220	0.97207	0.97194	0.97181	0.97168	0.97155	0.97142
18	0.97129	0.97116	0.97103	0.97089	0.97076	0.97063	0.97050	0.97037	0.97024	0.97010
19	0.96997	0.96984	0.96971	0.96957	0.96944	0.96931	0.96917	0.96904	0.96891	0.96877
20	0.96864	0.96850	0.96837	0.96823	0.96810	0.96796	0.96783	0.96769	0.96756	0.96742
21	0.96729	0.96716	0.96702	0.96688	0.96675	0.96661	0.96647	0.96634	0.96620	0.96606
22	0.96592	0.96578	0.96564	0.96551	0.96537	0.96523	0.96509	0.96495	0.96481	0.96467
23	0.96453	0.96439	0.96425	0.96411	0.96396	0.96382	0.96368	0.96354	0.96340	0.96326
24	0.96312	0.96297	0.96283	0.96269	0.96254	0.96240	0.96225	0.96211	0.96196	0.96182
25	0.96168	0.96153	0.96139	0.96124	0.96109	0.96094	0.96080	0.96065	0.96050	0.96035
26	0.96020	0.96005	0.95990	0.95975	0.95959	0.95944	0.95929	0.95914	0.95898	0.95883
27	0.95867	0.95851	0.95836	0.95820	0.95805	0.95789	0.95773	0.95757	0.95742	0.95726
28	0.95710	0.95694	0.95678	0.95662	0.95646	0.95630	0.95613	0.95597	0.95581	0.95565
29	0.95548	0.95532	0.95516	0.95499	0.95483	0.95466	0.95450	0.95433	0.95416	0.95400
30	0.95382	0.95365	0.95349	0.95332	0.95315	0.95298	0.95281	0.95264	0.95247	0.95230
31	0.95212	0.95195	0.95178	0.95161	0.95143	0.95126	0.95108	0.95091	0.95074	0.95056
32	0.95038	0.95020	0.95003	0.94985	0.94967	0.94950	0.94932	0.94914	0.94896	0.94878
33	0.94860	0.94842	0.94824	0.94806	0.94788	0.94770	0.94752	0.94734	0.94715	0.94697
34	0.94679	0.94660	0.94642	0.94624	0.94605	0.94587	0.94568	0.94550	0.94531	0.94512
35	0.94494	0.94475	0.94456	0.94438	0.94419	0.94400	0.94382	0.94363	0.94344	0.94325
36	0.94306	0.94287	0.94268	0.94249	0.94230	0.94211	0.94192	0.94172	0.94153	0.94134
37	0.94114	0.94095	0.94075	0.94056	0.94036	0.94017	0.93997	0.93978	0.93958	0.93939
38	0.93919	0.93899	0.93879	0.93859	0.93840	0.93820	0.93800	0.93780	0.93760	0.93740
39	0.93720	0.93700	0.93680	0.93660	0.93640	0.93620	0.93599	0.93579	0.93559	0.93539
40	0.93518	0.93498	0.93478	0.93458	0.93437	0.93417	0.93396	0.93376	0.93356	0.93335
41	0.93314	0.93294	0.93273	0.93253	0.93232	0.93212	0.93191	0.93170	0.93149	0.93129
42	0.93107	0.93086	0.93065	0.93044	0.93023	0.93002	0.92981	0.92960	0.92939	0.92918
43	0.92897	0.92876	0.92855	0.92834	0.92812	0.92791	0.92770	0.92749	0.92728	0.92707
44	0.92685	0.92664	0.92642	0.92621	0.92600	0.92579	0.92557	0.92536	0.92515	0.92493
45	0.92472	0.92450	0.92429	0.92408	0.92386	0.92365	0.92343	0.92322	0.92300	0.92279
46	0.92257	0.92236	0.92214	0.92193	0.92171	0.92150	0.92128	0.92106	0.92085	0.92063
47	0.92041	0.92019	0.91997	0.91976	0.91954	0.91932	0.91910	0.91889	0.91867	0.91845
48	0.91823	0.91801	0.91780	0.91758	0.91736	0.91714	0.91692	0.91670	0.91648	0.91626
49	0.91604	0.91582	0.91560	0.91538	0.91516	0.91494	0.91472	0.91450	0.91428	0.91406
50	0.91384	0.91361	0.91339	0.91317	0.91295	0.91272	0.91250	0.91228	0.91206	0.91183
51	0.91160	0.91138	0.91116	0.91093	0.91071	0.91049	0.91026	0.91004	0.90981	0.90959
52	0.90936	0.90914	0.90891	0.90869	0.90846	0.90824	0.90801	0.90779	0.90756	0.90734
53	0.90711	0.90689	0.90666	0.90644	0.90621	0.90598	0.90576	0.90553	0.90531	0.90508
54	0.90485	0.90463	0.90440	0.90417	0.90395	0.90372	0.90349	0.90327	0.90304	0.90281
55	0.90258	0.90236	0.90213	0.90190	0.90167	0.90145	0.90122	0.90099	0.90076	0.90054
56	0.90031	0.90008	0.89985	0.89962	0.89939	0.89917	0.89894	0.89871	0.89848	0.89825
57	0.89803	0.89780	0.89757	0.89734	0.89711	0.89688	0.89665	0.89643	0.89620	0.89597
58	0.89574	0.89551	0.89528	0.89505	0.89482	0.89459	0.89436	0.89413	0.89390	0.89367
59	0.89344	0.89321	0.89298	0.89275	0.89252	0.89229	0.89206	0.89183	0.89160	0.89137
60	0.89113	0.89090	0.89067	0.89044	0.89021	0.88998	0.88975	0.88951	0.88928	0.88905
61	0.88882	0.88859	0.88836	0.88812	0.88789	0.88766	0.88743	0.88720	0.88696	0.88673
62	0.88650	0.88626	0.88603	0.88580	0.88557	0.88533	0.88510	0.88487	0.88463	0.88440
63	0.88417	0.88393	0.88370	0.88347	0.88323	0.88300	0.88277	0.88253	0.88230	0.88206
64	0.88183	0.88160	0.88136	0.88113	0.88089	0.88066	0.88042	0.88019	0.87995	0.87972
65	0.87948	0.87925	0.87901	0.87878	0.87854	0.87831	0.87807	0.87784	0.87760	0.87737
66	0.87713	0.87689	0.87666	0.87642	0.87619	0.87595	0.87572	0.87548	0.87524	0.87501
67	0.87477	0.87454	0.87430	0.87406	0.87383	0.87359	0.87336	0.87312	0.87288	0.87265
68	0.87241	0.87218	0.87194	0.87170	0.87147	0.87123	0.87099	0.87075	0.87052	0.87028
69	0.87004	0.86981	0.86957	0.86933	0.86909	0.86885	0.86862	0.86838	0.86814	0.86790
70	0.86766	0.86742	0.86718	0.86694	0.86671	0.86647	0.86623	0.86599	0.86575	0.86551
71	0.86527	0.86503	0.86479	0.86455	0.86431	0.86407	0.86383	0.86359	0.86335	0.86311
72	0.86287	0.86263	0.86239	0.86215	0.86191	0.86167	0.86143	0.86119	0.86095	0.86071
73	0.86047	0.86022	0.85998	0.85974	0.85950	0.85926	0.85902	0.85878	0.85854	0.85830
74	0.85806	0.85781	0.85757	0.85733	0.85709	0.85685	0.85661	0.85636	0.85612	0.85588
75	0.85564	0.85540	0.85515	0.85491	0.85467	0.85443	0.85419	0.85394	0.85370	0.85346
76	0.85322	0.85297	0.85273	0.85249	0.85225	0.85200	0.85176	0.85152	0.85128	0.85103
77	0.85079	0.85055	0.85031	0.85006	0.84982	0.84958	0.84933	0.84909	0.84884	0.84860
78	0.84835	0.84811	0.84787	0.84762	0.84738	0.84713	0.84689	0.84664	0.84640	0.84615
79	0.84590	0.84566	0.84541	0.84517	0.84492	0.84467	0.84443	0.84418	0.84393	0.84369
80	0.84344	0.84319	0.84294	0.84270	0.84245	0.84220	0.84196	0.84171	0.84146	0.84121
81	0.84096	0.84072	0.84047	0.84022	0.83997	0.83972	0.83947	0.83923	0.83898	0.83873
82	0.83848	0.83823	0.83798	0.83773	0.83748	0.83723	0.83698	0.83674	0.83649	0.83624
83	0.83599	0.83574	0.83549	0.83523	0.83498	0.83473	0.83448	0.83423	0.83398	0.83373
84	0.83348	0.83323	0.83297	0.83272	0.83247	0.83222	0.83196	0.83171	0.83146	0.83120
85	0.83095	0.83070	0.83044	0.83019	0.82994	0.82968	0.82943	0.82917	0.82892	0.82866
86	0.82840	0.82815	0.82789	0.82763	0.82738	0.82712	0.82686	0.82660	0.82635	0.82609
87	0.82583	0.82557	0.82531	0.82505	0.82479	0.82453	0.82427	0.82401	0.82375	0.82349
88	0.82323	0.82297	0.82271	0.82245	0.82219	0.82193	0.82167	0.82140	0.82114	0.82088
89	0.82062	0.82035	0.82009	0.81983	0.81956	0.81930	0.81903	0.81877	0.81850	0.81824
90	0.81797	0.81770	0.81744	0.81717	0.81690	0.81664	0.81637	0.81610	0.81583	0.81556
91	0.81529	0.81502	0.81475	0.81448	0.81421	0.81394	0.81366	0.81339	0.81312	0.81285
92	0.81257	0.81230	0.81203	0.81175	0.81148	0.81120	0.81093	0.81066	0.81038	0.81010
93	0.80983	0.80955	0.80928	0.80900	0.80872	0.80844	0.80817	0.80789	0.80761	0.80733
94	0.80705	0.80677	0.80649	0.80621	0.80593	0.80565	0.80537	0.80509	0.80480	0.80452
95	0.80424	0.80395	0.80367	0.80338	0.80310	0.80281	0.80253	0.80224	0.80195	0.80166
96	0.80138	0.80109	0.80080	0.80051	0.80022	0.79993	0.79963	0.79934	0.79905	0.79875
97	0.79846	0.79816	0.79787	0.79757	0.79727	0.79698	0.79668	0.79638	0.79608	0.79578
98	0.79547	0.79517	0.79487	0.79456	0.79426	0.79396	0.79365	0.79335	0.79305	0.79274
99	0.79243	0.79213	0.79182	0.79151	0.79120	0.79089	0.79059	0.79028	0.78997	0.78966
100	0.78934

Spectroscopic data:

SPLASH (mass spectra)
splash10-001j-9000000000-a705823ce4aeba7f89e1

MoNA Mass Bank of North America (mass spectrum)
LFQSCWFLJHTTHZ-UHFFFAOYSA-N

SpectraBase (NMR, IR, FTIR, Raman, UV-Vis, MS ... spectra)
Kn46yonbI3b

NIST IR-Spektrum
Ethanol

Human Metabolome Database (GC-MS, LC-MS/MS spectra, NMR)
HMDB0000108

Calculated NMR spectrum (Predict Spectra via NMRDB)
¹H NMR Spektrum, ¹³C NMR Spektrum.

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Ethanol - C₂H₆O - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms E_xData of the element
and isotopes *Percentages
of isotopesPercentage of
E_x in formula massC
Carbon2 A_r = 12.011 u
ΣA_r = 24.022 u
¹²C: 12 u [98,94 %]
¹³C: 13.00335 u [1,06 %]
¹⁴C: 14.00324 u [<< 1 %]
¹²C: 51.5908 %
¹³C: 0.55272 %
¹⁴C: trace
52.1435 %H
Hydrogen6 A_r = 1.008 u
ΣA_r = 6.048 u
³H: 3.01605 u [<< 1 %]
¹H: 1.00783 u [99,99 %]
²H: 2.0141 u [0,01 %]
³H: trace
¹H: 13.12682 %
²H: 0.00131 %
13.1281 %O
Oxygen1ΣA_r = 15.999 u
¹⁶O: 15.99491 u [99,757 %]
¹⁷O: 16.99913 u [0,03835 %]
¹⁸O: 17.99916 u [0,205 %]
¹⁶O: 34.64395 %
¹⁷O: 0.01332 %
¹⁸O: 0.07119 %
34.7283 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

More calculated data

The molar mass is M = 46.069 grams per mole.

The amount of substance in one kilogram of the substance is n = 21.707 mol.

The amount of substance in one gram of the substance is n = 0.022 mol.

Monoisotopic mass: 46.0418648122 Da - related to ¹²C₂¹H₆¹⁶O.

Production

Ethanol is produced naturally by the fermentation of sugars by yeast (fermentation) or by petrochemical processes (e.g. ethylene hydration).

Ethanol as Active Ingredient

ATC Code:
D08AX08
V03AB16
V03AZ01

For detailed information on the active ingredient, see: DrugBank DB00898, NCI Thesaurus C2190.

Use in Cosmetics

INCI Name: ALCOHOL

Common alcohol is an ingredient in cosmetic products that functions as a foam-reducing, antimicrobial, astringent and viscosity-regulating component as well as a fragrance and solvent.

Source: CosIng (Cosmetic Ingredient Database) number: 31401.

Fragrance, flavoring agent

Flavoring in food.

EU regulations: See food flavors database Ref.-Nr. 3495 (EU Food Flavourings Database).

FLAVIS
02.078

JECFA
41

FEMA
2419

Hazard warnings according to GHS

(General information without guarantee of accuracy and completeness! The information does not replace the chemical safety data sheet or a risk assessment, but rather provides a general overview of the risk posed by the hazardous substance.

Signal word: Danger

GHS hazard statements (H phrases):

H225
Highly flammable liquid and vapour

Explosion limits of vapour-air mixtures: 3.1 to 27.7 vol.%.

LD50 (rat, oral): 7060 mg/kg.

Labeling in the EU: See ECHA Substance Infocard 100.000.526.

For toxicology and occupational safety when handling Ethanol as well as measures to be taken in case of danger, see: Hazardous Substances Information System GESTIS, ZVG-Nr. 010420.

International Chemical Safety Card ICSC (SDS, MSDS): See ICSC: 0044.

Note: The labeling requirement according to the CLP Regulation (EU) does not apply, among other things, to certain substances and mixtures for end users that are in the form of finished products, such as pharmaceuticals, veterinary drugs, cosmetics, certain medical products and medical devices, food or feed, as well as certain Food additives or flavorings. Special legal regulations may need to be adhered to here.

External Sources

PubChem:ID 702ChemSpider:ID 682UNII of the FDA (USA):Unique Ingredient Identifier 3K9958V90MEPA CompTox Chemicals Dashboard:DTXSID9020584Other CAS RN:121182-78-3; 8000-16-6; 8024-45-1 (also used, outdated or deleted registration numbers)

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Ethanol as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Ethanol.

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Last update: 2024-09-06

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