CAS 67-63-0|Isopropanol|isopropyl alcohol|ISOPROPYL ALCOHOL ACS REAGENT GRADE|ISOPROPYL ALCOHOL|propan-2-ol|2-Propanol|ISOPROPYL ALCOHOL, U.S.P.|ISOPROPYL ALCOHOL, ABSOLV GRADE|ISOPROPYL ALCOHOL, AN...

General Information

Structure

Molecular Formula

C₃H₈O

Molecular Mass

60.09502

Exact Mass

60.05751488

Charge

0

InChI

InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

InChIKey

KFZMGEQAYNKOFK-UHFFFAOYSA-N

Canonic Smiles

CC(O)C

Isomeric Smiles

CC(C)O

Calculated Properties

JChem

LogD (pH = 7.4)

0.25

LogD (pH = 5.5)

0.25

Log P

0.25

Rotatable Bonds

0

H Donor

1

H Acceptors

1

Lipinski's Rule of Five

true

Acid pKa

-1.81

Polar Surface Area

20.23

Polarizability

7.14

Molar Refractivity

17.43

LOG S

0.38

Data Source

Academic Data

Data Source

Names and Identifiers

Synonyms

IsopropanolISOPROPYL ALCOHOL ACS REAGENT GRADEISOPROPYL ALCOHOL2-PropanolISOPROPYL ALCOHOL, ABSOLV GRADEISOPROPYL ALCOHOL, U.S.P.ISOPROPYL ALCOHOL, ANHYDROSOLV GRADEISOPROPYL ALCOHOL, HISTOLOGICAL GRADEISOPROPYL ALCOHOL, HPLC/SPECTRO GRADE异丙醇Isopropyl alcohol2-丙醇isopropyl alcoholiPrOH仲丙醇IPArubbing alcohol异丙醇sec-Propyl alcohol异丙基醇异丙基醇2-Propanol2-丙醇LC-MS CHROMASOLV® 冲洗液 I2-丙醇/水 50/50 (v/v)Water/2-Propanol 50/50 (v/v)2-丙醇溶液2-Propanol solution2-Propanol/Water 50/50 (v/v)水/2-丙醇 50/50 (v/v)Rinsing Solution I2-丙醇, 光谱级2-丙醇,半导体级2-Propanol, Semiconductor Grade2-Propanol, ACS2-丙醇, 无水2-Propanol, Spectrophotometric Grade2-丙醇, HPLC级2-丙醇, GC级2-Propanol, GC Grade2-Propanol, HPLC Grade2-Propanol, anhydrous2-丙醇, ACSIsopropyl alcoholsec-propanolpropan-2-ol1-methylethanol2-PropanolIPAIsopropylalkoholi-propanolISOPROPYL ALCOHOL1-methylethyl alcohol2-hydroxypropaneisopropyl alcoholIsopropanoli-PropylalkoholPropan-2-olpropan-2-ol

IUPAC Traditional name

isopropyl alcohol

IUPAC name

propan-2-ol

Names and Identifiers

Registration numbers

EC Number

CAS Number

Beilstein Number

MDL Number

PubChem CID

CHEBI ID

17824CHEBI:17824CHEBI:26280CHEBI:43588CHEBI:8467CHEBI:14897

Chemspider ID

3644

ATC CODE

D08AX05

Wikipedia Title

Isopropyl_alcoholIsopropyl_Alcohol

CHEMBL

582CHEMBL582

Unique Ingredient Identifier

ND2M416302

KEGG ID

D00137C01845

Council of Europe Number

Flavis Number

FEMA ID

Merck Index

PubMed Citation Links

2452472724653974

BRENDA Database

1.14.13.2302.4.1.193.2.1.B313.1.1.751.13.11.21.1.1.1922.8.2.22.5.1.491.1.1.351.3.99.44.1.2.133.1.8.13.1.1.1081.1.98.53.4.21.633.1.1.593.5.1.111.1.2.103.2.1.211.1.1.3862.4.1.152.7.1.303.2.1.222.5.1.601.1.3.133.1.1.51.1.3.181.1.2.83.4.11.102.4.2.54.2.1.981.1.1.2683.4.21.622.4.1.213.5.1.143.1.3.181.1.1.11.1.1.801.17.1.93.2.1.141.1.1.2703.4.21.531.1.99.123.1.1.32.7.1.1653.2.1.41.1.1.21.1.2.B31.1.1.63.1.4.21.1.1.1563.1.3.84.6.1.13.5.1.241.14.18.31.1.5.51.1.99.363.4.24.721.2.3.13.3.2.103.1.1.743.2.1.B282.3.1.481.1.1.761.14.18.11.17.1.101.1.1.1951.1.5.71.1.3.303.2.1.B13.2.1.371.1.9.11.14.13.2273.1.1.11.1.5.113.6.5.33.2.1.402.5.1.313.2.1.2071.13.11.391.1.1.43.1.1.133.5.1.44.2.1.843.4.23.53.5.5.13.2.1.201.11.1.71.1.1.713.4.16.51.14.99.143.2.1.523.1.1.204.1.1.371.2.1.121.1.1.1843.1.1.434.2.1.23.1.1.23.4.19.31.13.11.603.5.5.71.1.1.731.1.1.2441.14.13.251.11.2.13.1.1.731.1.1.2693.4.24.273.2.1.81.1.2.91.14.13.923.1.1.761.1.1.1031.4.1.201.1.1.B41.1.3.63.2.1.21.1.1.2453.1.1.792.3.1.421.10.3.21.13.12.53.1.1.1124.6.1.133.2.1.781.1.1.406

Protein Data Bank

2ddf3tli4h691njh1z5p4ftn2ek82v8c3aab2b5n3lxj3msa2qmt3kwc1j6o1ec91gmz2ah23hmo3ola1bnd1jct1oe51cyd1rzj3l0t3s912g032ok93f034jzw1rw11tjg4ebv1i9s1we11aqn1ec82tnf2zj93rt54k0a1dqn1q1g1tji1asw2ek92ra53hmp3i864ftr3ev23get1l2t1gyc2okc3wns3ce43r0g2qo43msh4fta1lhv2iiz3ni82iab4ilz1f5f1m9q1r763olb1mi73g3k3rum3c841yl01sne1xti4esp3b643q7i4gzd4jzz1lq81oe63o643run4fsu1mc22a6s3dfe4imf2prs3bvf4a6q6g9t2wge3ksi3ni36h2r3dil4c704r6p6ren5igr5ujx6qrx4pkk4w5o5vol6njt4j687cy72gw53o2f3ol74wnl6cbh6eg23gdp3ov54h6a6up17axc4xao4z075h205umj5w2s4qo61p2u6sxu2fzt3l4p4c7z4pkz5b5u5h5x1z8h4ftc6sbk6d436p9m4pqx5dk56isq6vy44tli1yym2drj4fsy4fto4oum2dx62r745d975wyd7axd4qg35vko5y6q6sc04z3v5nuz6tq57b6o2fof2wnp3zdd4ft36st67kqx4zly5lef6xhb4zz47ax95h9i5i8t1iq61ju21ml63waf4kui4o7k6fue6qrt4ws66dlg6g3z7b6p4tko6v4q4ws45tli5ulp6ifb6wue4fti4jrp2y6p6j6l7cy86etn4xx77ctm7zhb4z156b0s6d996qgv3dis3rnj4hx25caz5wqs6etk2np63lea4nfu6qup5bs96ev06u9c6b0w6euu6kzy6oyb4z4d5hvv6xc17v1r2dwr5igi1z7a6bg77axh7rgn5igj5d182fob3zuz4c7y4dbp4mby6b5s3o4v7nf54ysh4pcr6etl6h9w4pml6ay11dqp1m9m1w7r4i4f7bim4yo96oy84mbz6d9a7l5k4uxd2ag43dj23fi53g3f5h3b2iom4ftk4ftm5ur76byq6kcx6m9s6q5a8tli4ola4pnq4r6r5h846p9l7b6i6xp61y4l3ni04lq44lss5eoe5k7t5w2o7tli5hvt7awv5eiz5txh6ycf4ll75bsc5jjg6b651ute7k3x7v1q3ms34oza4gzl4lat4q0i6nd76up86yaq4us85o581rzf2abb2tli4zlz5c305gmz2bhk2r4i3wuz4fst6st77b605exk4q0h4lcl5wt66acs1fb16wf42rgi3mzs4z1t6cx84ftl6qw15nxj6mab4z4c5b4e3g9x3q1s4f2k2cia2yda1i9t1npp1s071m8a3ajd3ms64hd81wl61ghb2bm33aaa3lkb4ayg4wqk5bt37nfk1ec71ivl1c1d1tjj3n5f4ftq3av03c6z4jxc4j204ws25j4x6p9k6qrs6sc17ng21ed11g9m3nfv5ujw5v736exl6hwr6oyg6qry1wb01ci83r4q3tif3v185uqh6etp7ec91bw91xwr1j0a1rh41vlb2cfu3wnt3o3x3trv3x0f7b613dim3dm62v8f3bp93ezi4mla4wrz6bg66jsd1mgv1x9z2ag22nxz2v573a4p3osf4y2l4zo01vr37lq21au91nw41w2m1s2x3crv3jz73s6w4h083fwh4eyg4ld34pc45igs5wt21seq1sna1ak91gha1ksf1lhw2oow4fsz4tl15x7l6b3d1tjh6up51am71ecw1try2jhm3we62jdj3le93ol94e462ra64opb6d9b1c1x1v4b2y5i3i033s3e2wsj4wql5j7p6tli7cet1eeu1oe41jw61wlr2erm2i602p5e4ks75n8j6etq1ecq1pq61jdf1dy51s013ogo3q885d6u6kg11waw1li42ag92fwr3djh4por5lgx5wt53dig3fzw4h254r6q6qw26etr7ozm5w2q5x6f2vsm3kme7b6l6lfe5h3v5j516qv77b6j3zy74fsw4jcc4pby5jny5a6v5eoo5tq04plu4uq35d7u2foa2g822r524is94usa4wrb6ifa6o267p3a4x1g6blq6ct74tki5a715u9j6m9u7efz1yx13hzw4xde6qrr6vpb6z1h2fzl2qo63u184c804gsj5fcm4ft06qrv7kjm5o875v706q554p016qrw6wo23o1j4kf34pos6h2s3ljk4gh27cfe5ma56d9d5hn46yce7cof2af94n5h5igp3zjj4c7b4fio4ftt7mzm4ruq6g465cnp6oye7b6q2qyv3s3f4fsm5c335cum6gmq3bf44ft74omk6gmx7rxe4r6o5zec7t242ca52ri72wur4djc4r6n4trf4z4e2wgd3ol83q9i3s1y4dbb4tru5bsj5fip5yat7ceu3kx03ol63wwa4gw36exk2cv43s014ftj4ftu4ra94w5r4z4j6d346eut6mgh6omo4ftg5joe3cb74hcc4poq7axf7e2w6etm6euz6qvy7axi7k5m4ydj5y6t6d2e6kg06ycg3mqo3qnl5b7u5hyo5j7q5w2p2ooz3rza4fsn6v3q7b6k5wre5wt46exm7ko94pot4wur5br75lgz5uzy6cbd2uuq2w2b2wgy2aba3c796qvz6rma5umk6d2g6yip5cbp6i8w6v3u7axe1zuy4osf6jyz5t2p6eto6vj77b9e4ogk4pjm5e8q2ipz3kk03o426hj26qru6d9e

MetaboLights Database

MTBLS2967MTBLS726MTBLS981MTBLS431MTBLS739MTBLS564MTBLS640MTBLS1145MTBLS242MTBLS563MTBLS1435MTBLS200MTBLS100MTBLS356MTBLS2424MTBLS1495MTBLS705MTBLS2550

BRENDA Ligand Database

495341878803551816919925

ACToR Database

67-63-05131-95-38003-15-4

Rhea Database

RHEA:41984RHEA:62196RHEA:21792RHEA:49992

EnzymePortal Database

P25984Q8LPU4P14941P35630P75214

Patent number

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

Drug Central Database

4,215

KEGG DRUG Database

D00137

BKMS React Database

187818169495348035519925

YMDB Database

YMDB01718

SABIO-RK Database

6964142601000217097922

DrugBank ID

DB04402

IntEnz Database

EC 1.1.1.80EC 1.14.13.227

GeneOntology Database

GO:1902701GO:1902639GO:1902702GO:1902640

Gmelin ID

CompTox Database

KNApSAcK Database

SureChEMBL Database

Reaxys Registry

MetaCyc Database

HMDB Database

NMRShiftDB Database

ArrayExpress (Gene Expression Altlas)

E-GEOD-1888

PDBeChem Database

IPA

UM-BBD compID

c0519

Registration numbers

Properties

Pharmacology Properties

no known allergens

Properties

Related Proteins

Related Proteins

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Wikipedia

Isopropyl_alcohol

Sigma Aldrich

I9516

Application
When compared to ethanol, 50% less is required for nucleic acid precipitation, thus minimizing the total volume to be centrifuged for DNA or RNA recovery.
包装
25, 500 mL in glass bottle

I9030

包装
100, 500 mL in glass bottle
4 L in PVC coated

324086

Application
Suitable for pesticide residue analysis
Packaging
4×4 L in glass bottle

270490

Packaging
View returnable container options.

733458

Application
High purity solvents for use in electrical applications and in the synthesis of high-purity materials.
Packaging
1, 4 L in poly bottle

W292907

Packaging
1 kg in poly bottle
1 sample in glass bottle
8, 20 kg in comp drum

40219