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53675

Sigma-Aldrich

α-Humulene

≥96.0% (GC)

Synonym(s):

alpha-Humulene, α-Caryophyllene, trans,trans,trans-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene

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About This Item

Empirical Formula (Hill Notation):
C15H24
CAS Number:
Molecular Weight:
204.35
Beilstein:
3240075
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

≥96.0% (GC)

refractive index

n20/D 1.503 (lit.)

bp

166-168 °C (lit.)

density

0.889 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

C\C1=C/CC(C)(C)\C=C\C\C(C)=C\CC1

InChI

1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

InChI key

FAMPSKZZVDUYOS-HRGUGZIWSA-N

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General description

α-Humulene is a class of sesquiterpenes found in Cordia verbenacea essential oil.[1]

Application

α-Humulene can be used in the formation of secondary organic aerosol by oxidation.[2]

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

194.0 °F - closed cup

Flash Point(C)

90 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Rafael C Dutra et al.
The Journal of pharmacy and pharmacology, 61(2), 243-250 (2009-01-31)
The objective of this work was to investigate the antiulcerogenic and anti-inflammatory activities of the essential oil from Pterodon emarginatus seeds. The following tests were used: ulcers induced by ethanol, indometacin and HCl/ethanol, and pleurisy induced by carrageenan in Swiss
Ping-Chuan Jiang et al.
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, 32(8), 1224-1227 (2009-12-08)
To study the volatile oil of Murraya exotica. The volatile oil of Murraya exotica was extracted by steam-stilling and was identified by GC-MS-DS. More than 90 compounds were separated, and 59 compounds were identified, accounting for 93.9% of the total
Ulrich Neuenschwander et al.
The Journal of organic chemistry, 77(6), 2865-2869 (2012-02-16)
Humulene is a sesquiterpene with an important biochemical lead structure, consisting of an 11-membered ring, containing three nonconjugated C═C double bonds, two of them being triply substituted and one being doubly substituted. As observed by many groups, one of the
João Paulo B Sousa et al.
Journal of pharmaceutical and biomedical analysis, 54(4), 653-659 (2010-11-26)
Copaifera species (Leguminoseae) are popularly known as "copaiba" or "copaíva". The oleoresins obtained from the trunk of these species have been extensively used in folk medicine and are commercialized in Brazil as crude oil and in several pharmaceutical and cosmetic
Ling Chai et al.
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials, 33(3), 382-385 (2010-08-05)
To analyze the compositions of the essential oil from the leaves of Callicarpa integerrima. GC-MS method was used. 42 chemical constituents, accounting for 97.62% of total content were identified. The main components were beta-caryophyllene (33.74%), Elixene (12.86%), tau-Cadinene (9.57%) and

Protocols

Fast GC analysis of sweet orange essential oil in hexane. Key components identified includes: β-Farnesene; α-Huµlene; Germacrene D; (+)-Valencene; Bicyclogermacrene; (+)-δ-Cadinene

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