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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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Fragrance material review on 3-methyl-2-buten-1-ol.
McGinty D, et al.
Food And Chemical Toxicology, 48, S64-S69 (2010)
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)
Charla A Centrone et al.
Bioorganic & medicinal chemistry, 12(21), 5495-5503 (2004-10-07)
Mycobacteria biosynthesize a cell wall structure that is rich in polysaccharides containing arabinofuranose residues. The source of these arabinofuranose residues is decaprenolphosphoarabinose (1), the donor substrate for mycobacterial arabinosyltransferases. We have previously demonstrated that an analog of 1, C-phosphonate 7
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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