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12448

α-Humulene

analytical standard

Synonym(s):

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:
85151701
NACRES:
NA.24
PubChem Substance ID:
329749741
EC Number:
229-816-7
Beilstein/REAXYS Number:
3240075
MDL number:
MFCD00042689
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grade

analytical standard

Quality Level

100

assay

≥95.0% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.503 (lit.)

bp

166-168 °C (lit.)

density

0.889 g/mL at 20 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

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

General description

α-Humulene is a cyclic sesquiterpene, a main active constituent isolated from plant Cordia verbenacea (Boraginaceae).

Application

α-Humulene has been used as a reference standard for the determination of isomers of α-humulene in copaiba oleoresin species by high performance liquid chromatography method using the Box-Behnken design.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

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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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC7064
BCCB8061
BCBZ9299
BCBX6471
BCBW2896

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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

-β-Farnesene; α-Huµlene; Germacrene D; (+)-Valencene; Bicyclogermacrene; (+)-δ-Cadinene

Where is the Oxygen? Structural Analysis of ?-Humulene Oxidation Products by the Crystalline Sponge Method.
Zigon N, et al.
Angewandte Chemie (International Edition in English), 54(31), 9033-9037 (2015)
Qiu-Yue Qi et al.
Organic letters, 16(19), 5092-5095 (2014-09-13)
Two new heterodimeric sesquiterpenes, sterhirsutins A (1) and B (2), and two new sesquiterpenes, hirsutic acids D-E (3 and 4), were identified from the culture of Stereum hirsutum. The absolute configurations in 1 and 2 were confirmed by single-crystal X-ray
Development of a high performance liquid chromatography method for quantification of isomers β-caryophyllene and α-humulene in copaiba oleoresin using the Box-Behnken design.
de Almeida Borges VR, et al.
Journal of Chromatography. B, Biomedical Sciences and Applications, 940(14), 35-41 (2013)
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Global Trade Item Number

SKUGTIN
PHR1362-5G04061835233823
1086334-500MG04061835345946
12448-250MG04061838723000