278394

3,5-Dimethyl-1-hexyn-3-ol

98%

Manufacturer: Sigma Aldrich

CAS Number: 107-54-0

Synonym(S): 3,5-Dimethyl-1-hexyne-3-ol, 3,5-Dimethylhexyn-3-ol

Select a Size

Pack Size SKU Availability Price
100 ML 278394-100-ML In Stock ₹ 4,275.88
500 ML 278394-500-ML In Stock ₹ 11,636.88

278394 - 100 ML

₹ 4,275.88

In Stock

Quantity

1

Base Price: ₹ 4,275.88

GST (18%): ₹ 769.658

Total Price: ₹ 5,045.538

vapor density

4.34 (vs air)

Quality Level

200

vapor pressure

4.5 mmHg ( 20 °C)

Assay

98%

form

liquid

refractive index

n20/D 1.434 (lit.)

bp

150-151 °C (lit.)

density

0.859 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3

Other Options

Image Product Name Manufacturer Price Range
50-749-4023
Pfaltz & Bauer 3 5-Dimethyl-1-hexyne-3-ol| 100G | 107-54-0
Pfaltz & Bauer ₹ 13,193.35
CS-W013492
3,5-Dimethylhex-1-yn-3-ol
ChemScene ₹ 8,812.68 - ₹ 15,657.48
AB63974
107-54-0 | 3,5-Dimethylhex-1-yn-3-ol
A2B Chem ₹ 1,540.08 - ₹ 15,999.72

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Description

  • General description: Bimolecular rate constant for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol has been been measured using the relative rate technique[1]. Reaction of CO2 with 3,5-dimethyl-1-hexyn-3-ol catalyzed by CuCl in different ionic liquids and solvents has been investigated[2].
  • Application: 3,5-Dimethyl-1-hexyn-3-ol may be used to synthesize:3,5-Dimethyl-1-phenyl-1-hexen-3-ol via one-pot palladium-mediated hydrostannylation/Stille cross-coupling.[3]3,5-dimethyl-1-hexyn-3-acetate via esterification with acetic anhydride in a neutral ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate).[4]3,5-Dimethyl-3-hydroxy-1-hexen-1-yl benzoate via anti-Markovnikov addition of benzoic acid.[5]

SAFETY INFORMATION

Pictograms

GHS02,GHS06

Signal Word

Danger

Hazard Statements

H226,H301 + H311 + H331,H319

Precautionary Statements

P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3

WGK

WGK 3

Flash Point(F)

111.2 °F

Flash Point(C)

44 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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vapor density:
4.34 (vs air)

Quality Level:
200

vapor pressure:
4.5 mmHg ( 20 °C)

Assay:
98%

form:
liquid

refractive index:
n20/D 1.434 (lit.)

bp:
150-151 °C (lit.)

density:
0.859 g/mL at 25 °C (lit.)

SMILES string:
CC(C)CC(C)(O)C#C

InChI:
1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3

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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO

InChI:
1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

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n20/D 1.389

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SMILES string:
[Na]OS(=O)(=O)C=C

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1S/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1

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n20/D 1.4539 (lit.)

bp:
207 °C (lit.)

density:
0.904 g/mL at 25 °C (lit.)

SMILES string:
CN(C)CCN(C)CCO

InChI:
1S/C7H18N2O/c1-8(2)4-5-9(3)6-7-10/h10H,4-7H2,1-3H3