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Merck
CN

W524905

Dipentene

mixture of isomers

Synonym(s):

(±)-Limonene, p-Mentha-1,8-diene

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About This Item

Empirical Formula (Hill Notation):
C10H16
CAS Number:
138-86-3
Molecular Weight:
136.23
NACRES:
NA.21
Flavis number:
1.001
PubChem Substance ID:
24902101
UNSPSC Code:
12164502
EC Number:
205-341-0
MDL number:
MFCD00062992
Beilstein/REAXYS Number:
3587825
Organoleptic:
citrus
Grade:
Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

Dipentene, mixture of isomers

InChI key

XMGQYMWWDOXHJM-UHFFFAOYSA-N

InChI

1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3

SMILES string

CC(=C)C1CCC(C)=CC1

biological source

synthetic

grade

Kosher

vapor density

>4.7 (80 °C, vs air)

vapor pressure

1 mmHg ( 20 °C)

autoignition temp.

458 °F

expl. lim.

0.7-6.1 %, 150 °F

refractive index

n20/D 1.473 (lit.)

bp

170-180 °C (lit.)

density

0.86 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

citrus

Quality Level

400

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signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
SHBP7785
SHBM7078
MKCJ7166
MKCF0853
MKCB5950

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Mohammad M Rafiee Fanood et al.
Nature communications, 6, 7511-7511 (2015-06-25)
Simultaneous, enantiomer-specific identification of chiral molecules in multi-component mixtures is extremely challenging. Many established techniques for single-component analysis fail to provide selectivity in multi-component mixtures and lack sensitivity for dilute samples. Here we show how enantiomers may be differentiated by
Patrizia A d'Alessio et al.
Life sciences, 92(24-26), 1151-1156 (2013-05-15)
To further explore the anti-inflammatory properties of d-Limonene. A rat model was used to compare evolution of TNBS (2,5,6-trinitrobenzene sulfonic acid)-induced colitis after oral feeding with d-Limonene compared to ibuprofen. Peripheral levels of TNF-α (Tumor Necrosis Factor alpha) were assessed
Johanna Bråred Christensson et al.
Contact dermatitis, 68(4), 214-223 (2013-03-21)
Limonene is a common fragrance terpene that, in its pure form, is not allergenic or is a very weak allergen. However, limonene autoxidizes on air exposure, and the oxidation products can cause contact allergy. Oxidized R-limonene has previously been patch
Young Woo Kim et al.
Journal of toxicology and environmental health. Part B, Critical reviews, 16(1), 17-38 (2013-04-12)
d-Limonene, a major constituent of citrus oils, is a monoterpene widely used as a flavor/fragrance additive in cosmetics, foods, and industrial solvents as it possesses a pleasant lemon-like odor. d-Limonene has been designated as a chemical with low toxicity based
K Vanommeslaeghe et al.
Journal of chemical information and modeling, 52(12), 3144-3154 (2012-11-14)
Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or interacting with biological systems. In simulations involving biological macromolecules, the biological part is typically represented by a specialized biomolecular force field
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