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Merck
CN

8.02489

Citral

(mixture of cis- and trans-isomers) for synthesis

Synonym(s):

Citral, 3,7-Dimethyl-2,6-octadienal

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About This Item

Linear Formula:
(CH3)2C=CHCH2CH2C(CH3)=CHCHO
CAS Number:
Molecular Weight:
152.23
UNSPSC Code:
12352114
EC Index Number:
226-394-6
NACRES:
NA.22
MDL number:
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Product Name

Citral, (mixture of cis- and trans-isomers) for synthesis

SMILES string

O=C\C=C(\CCC=C(C)C)/C

InChI

1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+

InChI key

WTEVQBCEXWBHNA-JXMROGBWSA-N

vapor pressure

<1 hPa ( 50 °C)

form

liquid

autoignition temp.

225 °C

potency

4950 mg/kg LD50, oral (Rat)
2250 mg/kg LD50, skin (Rabbit)

expl. lim.

4.3-9.9 % (v/v)

bp

227-229 °C/1013 hPa

mp

<-20 °C

transition temp

flash point 98 °C

density

0.89 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

Analysis Note

Assay isomers (GC, area%): ≥ 96.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.887 - 0.889
Identity (IR): passes test

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

208.4 °F - DIN 51758

flash_point_c

98 °C - DIN 51758


Certificates of Analysis (COA)

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