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Merck
CN

W508209

3-Methyl-3-pentanol

≥98%, FG

Synonym(s):

Diethyl methyl carbinol

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About This Item

Linear Formula:
(CH3CH2)2C(CH3)OH
CAS Number:
77-74-7
Molecular Weight:
102.17
NACRES:
NA.21
Flavis number:
2.184
PubChem Substance ID:
24902037
UNSPSC Code:
12164502
EC Number:
201-053-4
MDL number:
MFCD00004483
Beilstein/REAXYS Number:
1731456

Key Documents

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InChI key

FRDAATYAJDYRNW-UHFFFAOYSA-N

InChI

1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

SMILES string

CCC(C)(O)CC

biological source

synthetic

grade

FG, Kosher

reg. compliance

EU Regulation 1334/2008 & 178/2002

assay

≥98%

refractive index

n20/D 1.418 (lit.)

bp

123 °C (lit.)

mp

−38 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; fruity

Quality Level

400

General description

3-Methyl-3-pentanol is an aroma-active alcohol that occurs naturally in pandan leaves, red pepper and fruit of Lycii fructus.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCF3567
MKBV9655V
MKBT2071V
MKBQ9061V
MKBP1105V

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Volatiles from red pepper (Capsicum spp.).
Keller U, et al.
ACS Symp. Ser., 137?146-137?146 (1981)
Volatile composition of pandan leaves (Pandanus amaryllifolius).
Jiang J.
Flavor chemistry of ethnic foods, 105-109 (1999)
Aroma?Active Components of Lycii fructus (kukija).
Lee GH, et al.
Journal of Food Science, C500?C505-C500?C505 (2008)
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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