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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
grade:
FG
biological source:
synthetic
food allergen:
no known allergens

biological source

synthetic

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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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

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

93.2 °F - closed cup

Flash Point(C)

34 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W370304-BULK:
W370304-VAR:
W370304-1KG:
W370304-4KG:
W370304-SAMPLE:
W370304-100G:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN3159
SHBM8248
SHBL7571
MKCJ0562
MKCC3543

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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

Protocols

GC Analysis of Fermentation Compounds on a Packed Column (6.6% Carbowax® 20M on 80/120 Carbopack™ B AW)

Separation of Acetone; Acetic acid; Propionic acid; Ethyl butyrate; Ethanol; Isoamyl acetate; Isobutyric acid; 3-Methyl-2-butanol; Methyl acetate; 1-Propanol; Acetal, ≥98%, FG; 2-Methyl-1-pentanol; Butyl acetate; Ethyl propionate; 3-Pentanol; 2-Pentanol, 98%; Ethyl isobutyrate; Isobutyl acetate; Acetaldehyde; Furfural; Butyric acid; Methanol; Ethyl acetate

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