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Merck
CN

W364703

3-Methyl-2-buten-1-ol

≥98%, FG

Synonym(s):

3,3-Dimethylallyl alcohol, Prenol

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About This Item

Linear Formula:
(CH3)2C=CHCH2OH
CAS Number:
556-82-1
Molecular Weight:
86.13
FEMA Number:
3647
Council of Europe no.:
4163
UNSPSC Code:
12164502
PubChem Substance ID:
24901829
Flavis number:
2.109
EC Number:
209-141-4
NACRES:
NA.21
MDL number:
MFCD00002916
Beilstein/REAXYS Number:
1633479
Organoleptic:
green; fruity
Grade:
FG
Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

3-Methyl-2-buten-1-ol, ≥98%, FG

SMILES string

C\C(C)=C\CO

InChI

1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3

InChI key

ASUAYTHWZCLXAN-UHFFFAOYSA-N

biological source

synthetic

grade

FG
Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012

vapor pressure

1.4 mmHg ( 20 °C)

assay

≥98%

expl. lim.

16.3 %

refractive index

n20/D 1.443 (lit.)

bp

140 °C (lit.)

density

0.848 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

300
400

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General description

Methyl-2-buten-1-ol is one of the key volatile aroma components of pepino fruit and daffodil flowers. It is used as a fragrance ingredient in fragrances cosmetics, and household cleaners and detergents.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

124.7 °F - closed cup

flash_point_c

51.5 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ6150
SHBQ9100
STBK6181
STBJ7860
STBJ6283

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Use of solid-phase microextraction as a sampling technique for the characterization of volatile compounds emitted from Chinese daffodil flowers.
Song G, et al.
Journal of Analytical Chemistry, 62(7), 674-679 (2007)
Quantitative analysis of the volatile aroma components of pepino fruit by purge?and?trap and gas chromatography.
Ruiz?Bevia F, et al.
Journal of the Science of Food and Agriculture, 82(10), 1182-1188 (2002)
Fragrance material review on 3-methyl-2-buten-1-ol.
McGinty D, et al.
Food And Chemical Toxicology, 48, S64-S69 (2010)
Takeshi Bamba et al.
Journal of separation science, 32(15-16), 2699-2706 (2009-07-17)
Monolithic silica columns have very low back-pressures and offer several advantages over conventional columns packed with spherical particles, such as high separation efficiency and rapid analysis. In this review, we report the applicability of monolithic silica columns for the analysis
Branko Radetich et al.
Journal of the American Chemical Society, 124(11), 2430-2431 (2002-03-14)
A solution is reported to the classic unsolved problem of stereoselective synthesis of all-E oligoprenols, such as E-farnesylfarnesol, by a cationic coupling analogous to the biosynthetic pathway. The simplicity and efficacy of the method, which is outlined in Scheme 1
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