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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)

Key Documents

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Product Name

α-Humulene, ≥96.0% (GC)

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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Application

α-Humulene can be used in the formation of secondary organic aerosol by oxidation.[1]

General description

α-Humulene is a class of sesquiterpenes found in Cordia verbenacea essential oil.[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
Fengnian Yu et al.
Planta, 227(6), 1291-1299 (2008-02-15)
Shampoo ginger (Zingiber zerumbet Smith) has a high content and large variety of terpenoids in the essential oil of its rhizome. Here, we report on the isolation of a cDNA clone (ZSS1) encoding alpha-humulene synthase, a possible key enzyme of
M Beck et al.
Physical chemistry chemical physics : PCCP, 13(23), 10970-11001 (2011-04-05)
α-Humulene contains three double bonds (DB), and after ozonolysis of the first DB the first-generation products are still reactive towards O(3) and produce second- and third-generation products. The primary aim of this study consisted of identifying the products of the
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
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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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