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Key Documents

W364703

Sigma-Aldrich

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:
Molecular Weight:
86.13
FEMA Number:
3647
Beilstein:
1633479
EC Number:
Council of Europe no.:
4163
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
2.109
NACRES:
NA.21

biological source

synthetic

Quality Level

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

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

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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.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

124.7 °F - closed cup

Flash Point(C)

51.5 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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)
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)
Fragrance material review on 3-methyl-2-buten-1-ol.
McGinty D, et al.
Food And Chemical Toxicology, 48, S64-S69 (2010)
Teris A van Beek
Journal of chromatography. A, 967(1), 21-55 (2002-09-11)
The chemical analysis and quality control of Ginkgo leaves and extracts is reviewed. Important constituents present in the medicinally used leaves are the terpene trilactones, i.e., ginkgolides A, B, C, J and bilobalide, many flavonol glycosides, biflavones, proanthocyanidins, alkylphenols, simple
Dusan Hesek et al.
Journal of the American Chemical Society, 134(33), 13881-13888 (2012-08-07)
We describe a practical, multigram synthesis of (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaen-1-ol [(Z(4),E(2),ω)-heptaprenol, 4] using the nerol-derived sulfone 8 as the key intermediate. Sulfone 8 is prepared by the literature route and is converted in five additional steps (18% yield from 8) to (Z(4),E(2),ω)-heptaprenol

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