CAS 464-07-3|CAS 20281-91-8|3,3-dimethylbutan-2-ol|3,3-dimethyl-2-butanol|tert-BUTYL METHYLCARBINOL|3,3-Dimethyl-2-butanol|Pinacolyl alcohol|甲基叔丁基甲醇|3,3-二甲基-2-丁醇|Pinacoline alcohol|tert-...

Molecular Formula

C₆H₁₄O

Molecular Mass

102.17476

Exact Mass

102.10446507

InChI

InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3

InChIKey

DFOXKPDFWGNLJU-UHFFFAOYSA-N

Canonic Smiles

CC(C(C)(C)C)O

Isomeric Smiles

CC(O)C(C)(C)C

JChem

Acid pKa

18.701508

H Acceptors

H Donor

LogD (pH = 5.5)

1.5203019

LogD (pH = 7.4)

1.5203019

Log P

1.5203019

Molar Refractivity

30.8224

Polarizability

12.4019375

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC name

3,3-dimethylbutan-2-ol

IUPAC Traditional name

3,3-dimethyl-2-butanol

Synonyms

tert-BUTYL METHYLCARBINOL3,3-Dimethyl-2-butanolPinacolyl alcohol甲基叔丁基甲醇3,3-二甲基-2-丁醇Pinacoline alcoholtert-Butyl methyl carbinolPinacolyl alcohol频哪醇

Wikipedia Title

PubChem SID

Beilstein Number

MDL Number

MSDS Link

RTECS

EL2276000

GHS Hazard statements

H226

H226-H315-H319-H335

10-36/37/38

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

UN 1987 3/PG 3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

1987

UN1987

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

7-26-33-37-43-60

Product Information

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(CH3)3CCH(OH)CH3

98%

99%

Physical Property

No Data Available

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No Data Available

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Sigma Aldrich

136824

Packaging
25, 100 g in glass bottle

MP Biomedicals

05211845

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

IUPAC name

3,3-dimethylbutan-2-ol

IUPAC Traditional name

3,3-dimethyl-2-butanol

Synonyms

tert-BUTYL METHYLCARBINOL3,3-Dimethyl-2-butanolPinacolyl alcohol甲基叔丁基甲醇3,3-二甲基-2-丁醇Pinacoline alcoholtert-Butyl methyl carbinolPinacolyl alcohol频哪醇

Wikipedia Title

PubChem SID

Beilstein Number

MDL Number

136824

Packaging
25, 100 g in glass bottle

MP Biomedicals

05211845

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Safety Information

Product Information

Download link

(CH3)3CCH(OH)CH3

98%

99%

Physical Property

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Melting Point

5.6 °C

4.8 °C(lit.)

5.3°C

Refractive Index

n20/D 1.415(lit.)

1.4150

Flash Point

26 °C

78.8 °F

28°C(84°F)

Apperance

Liquid

Molecule

ID:109615