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Safety Information

W370304

Sigma-Aldrich

DL-3-Methyl-2-butanol

≥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
FEMA Number:
3703
Beilstein:
1718800
EC Number:
209-950-2
MDL number:
MFCD00004527
UNSPSC Code:
12164502
PubChem Substance ID:
24901849
Flavis number:
2.111
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG

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

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Related Categories

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H332,H335

Precautionary Statements

P210 - P304 + P340 + P312

Hazard Classifications

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

Target Organs

Respiratory system

Supplementary Hazards

EUH066

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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
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

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