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94882

(1S)-(−)-Verbenone

analytical standard

Synonym(s):

(1S,5S)-2-Pinen-4-one, (1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one

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About This Item

Empirical Formula (Hill Notation):
C10H14O
CAS Number:
1196-01-6
Molecular Weight:
150.22
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329770394
EC Number:
214-807-2
Beilstein/REAXYS Number:
1907623
MDL number:
MFCD00065445
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grade

analytical standard

Quality Level

100

assay

≥99.0% (sum of enantiomers, GC)

optical activity

[α]20/D −170±12°, neat

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

refractive index

n20/D 1.496 (lit.), n20/D 1.497

bp

227-228 °C (lit.)

density

0.975 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

CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C

InChI

1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1

InChI key

DCSCXTJOXBUFGB-JGVFFNPUSA-N

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Monoterpenoid chiral building block.; Isomerization to 2(10)-pinen-4-one; Cyclopentannulation; Oxidative cleavage to pinononic acid
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

185.0 °F - closed cup

flash_point_c

85 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD8826
BCBZ4229
BCBW2664
BCBR0511V

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G. Ohloff et al.
Helvetica Chimica Acta, 60, 1496-1496 (1977)
K.J. Moriarty et al.
Organometallics, 8, 1512-1512 (1989)
P.H.J. Carlsen et al.
Acta Chemica Scandinavica. Series B, 38, 501-501 (1984)
View All Related Papers

Global Trade Item Number

SKUGTIN
94882-5ML04061837781162
94882-1ML04061833296967