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Merck

L2807

3,7-Dimethyl-1,6-octadien-3-yl acetate

97%

Synonym(s):

Linalyl acetate, 3,7-Dimethyl-1,6-octadien-3-yl acetate, Bergamol

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About This Item

Linear Formula:
CH3CO2C(CH=CH2)(CH3)CH2CH2CH=C(CH3)2
CAS Number:
115-95-7
Molecular Weight:
196.29
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24896327
EC Number:
204-116-4
Beilstein/REAXYS Number:
1724500
MDL number:
MFCD00008907
Assay:
97%

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InChI

1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3

InChI key

UWKAYLJWKGQEPM-UHFFFAOYSA-N

SMILES string

C\C(C)=C\CCC(C)(OC(C)=O)C=C

vapor density

6.8 (vs air)

vapor pressure

0.1 mmHg ( 20 °C)

assay

97%

refractive index

n20/D 1.453 (lit.)

bp

220 °C (lit.)

density

0.901 g/mL at 25 °C (lit.)

Quality Level

100

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

201.2 °F - closed cup

flash_point_c

94 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5475
STBK8379
STBK5129
STBD2811V
STBF4770V

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Olga Larkov et al.
Phytochemistry, 69(14), 2565-2571 (2008-10-07)
Selected plants within the Origanum, Mentha and Salvia genera, that contain significant amounts of chiral volatile alcohols and their related acetates, exhibit remarkable enantioselectivity of alcohol acetyl transferase (AAT) activity and particularly can discriminate between linalool enantiomers. Origanum dayi AAT
Marina Soković et al.
Molecules (Basel, Switzerland), 15(11), 7532-7546 (2010-10-30)
The chemical composition and antibacterial activity of essential oils from 10 commonly consumed herbs: Citrus aurantium, C. limon, Lavandula angustifolia, Matricaria chamomilla, Mentha piperita, M. spicata, Ocimum basilicum, Origanum vulgare, Thymus vulgaris and Salvia officinalis have been determined. The antibacterial
Antonella Di Sotto et al.
Environmental and molecular mutagenesis, 52(1), 69-71 (2010-09-15)
The potential genotoxicity of lavender essential oil and its major components, linalool, and linalyl acetate, was evaluated in vitro by the micronucleus test on peripheral human lymphocytes. In the range of non-toxic concentrations (0.5-100 μg/ml), linalyl acetate increased the frequency
Krzysztof Cal et al.
Journal of controlled release : official journal of the Controlled Release Society, 93(3), 369-376 (2003-12-04)
The purpose of the study was to investigete skin absorption and elimination of three acyclic terpenes: citronellol (C), linalool (L) and linalyl acetate (LA). The pure terpenes were applied onto the human skin in vitro, and after 1-4 h, their
Krzysztof Cal
Planta medica, 72(4), 311-316 (2006-03-25)
The purpose of this study was to evaluate the in vitro cutaneous penetration of five terpenes--linalool, linalyl acetate, terpinen-4-ol, citronellol and alpha-pinene--applied in pure essential oils or in dermatological formulations (o/w emulsion, oily solution or hydrogel) containing 0.75 % w/w
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