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Merck
CN

W524905

Sigma-Aldrich

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
Beilstein:
3587825
EC Number:
205-341-0
MDL number:
MFCD00062992
UNSPSC Code:
12164502
PubChem Substance ID:
24902101
Flavis number:
1.001
NACRES:
NA.21
Organoleptic:
citrus
Grade:
Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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biological source

synthetic

Quality Level

400

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

SMILES string

CC(=C)C1CCC(C)=CC1

InChI

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

InChI key

XMGQYMWWDOXHJM-UHFFFAOYSA-N

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Signal Word

Warning

Hazard Statements

H226,H315,H317,H410

Hazard Classifications

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

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

109.4 °F - closed cup

Flash Point(C)

43 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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
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
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
Shafeeque Ahmad et al.
Food chemistry, 138(2-3), 1116-1124 (2013-02-16)
The hypolipidemic and antioxidant actions of thymoquinone (TQ) and limonene (LMN) were investigated by giving 1 ml of 10mg TQ or 200mg LMN suspension, by gavage in two equal doses (morning and evening) of 0.5 ml each for 30 days
Choon Siong Mah et al.
International journal of pharmaceutics, 441(1-2), 433-440 (2012-11-24)
Endoxifen, an anti-estrogenic agent, has been recently implicated in the use of breast cancer. Its physicochemical properties make it a good candidate for transdermal delivery. However, as an investigative drug, its limited supply makes it difficult to conduct extensive pre-formulation
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