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Merck

53675

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:
6753-98-6
Molecular Weight:
204.35
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57651429
EC Number:
229-816-7
Beilstein/REAXYS Number:
3240075
MDL number:
MFCD00042689
Assay:
≥96.0% (GC)

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InChI key

FAMPSKZZVDUYOS-HRGUGZIWSA-N

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+

SMILES string

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

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

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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
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

194.0 °F - closed cup

flash_point_c

90 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCBV7891
BCBP7751V
BCBN2536V
BCBF5297V
BCBC2770V

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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
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
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
Akinola O Ogunbinu et al.
Natural product communications, 4(3), 421-424 (2009-05-06)
The chemical composition of the essential oils from the leaves and stem bark of Eclipta prostrata (L.) L. and the aerial parts of Vernonia amygdalina Delile (Asteraceae) have been analyzed by capillary gas chromatography (GC) and gas chromatography/mass spectrometry (GC/MS).
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Protocols

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 µm), Fast GC Analysis

GC Analysis of Sweet Orange Essential Oil on SLB®-5ms (10 m x 0.10 mm I.D., 0.10 μm), Fast GC Analysis

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