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W370304

DL-3-Methyl-2-butanol

Name: <SC>DL</SC>-3-Methyl-2-butanol
Brand: ALDRICH

≥98%, FG

Synonym(s):

3-Methyl-2-butanol, Isopropyl methyl carbinol

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About This Item

Linear Formula:

(CH₃)₂CHCH(OH)CH₃

CAS Number:

598-75-4

Molecular Weight:

88.15

Flavis number:

2.111

PubChem Substance ID:

24901849

UNSPSC Code:

12164502

FEMA Number:

3703

NACRES:

NA.21

EC Number:

209-950-2

MDL number:

MFCD00004527

Beilstein/REAXYS Number:

1718800

Organoleptic:

fruity

Grade:

Biological source:

synthetic

Agency:

meets purity specifications of JECFA

Food allergen:

no known allergens

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Properties

biological source

synthetic

Quality Level

300, 400

grade

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 110

assay

≥98%

refractive index

n20/D 1.409 (lit.)

bp

112 °C (lit.)

density

0.818 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fruity

SMILES string

CC(C)C(C)O

InChI

1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3

InChI key

MXLMTQWGSQIYOW-UHFFFAOYSA-N

Description

hcodes

H226,H332,H335

pictograms

GHS02,GHS07

signalword

Warning

pcodes

P210 - P304 + P340 + P312

Hazard Classifications

Acute Tox. 4 Inhalation - Flam. Liq. 3 - STOT SE 3

target_organs

Respiratory system

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

93.2 °F - closed cup

flash_point_c

34 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

Pascal Fuchsmann et al.

Journal of agricultural and food chemistry, 63(34), 7511-7521 (2015-08-01)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry/pulsed flame photometric detection and gas chromatography-olfactometry to identify and quantitate volatile compounds. In addition, odor quality and

Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Alfonso Pérez-Garrido et al.

Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

Global Trade Item Number

SKU	GTIN
W370304-100G	04061837537257
W370304-1KG	04061837846748
W370304-SAMPLE	04061837846762