8.02489

Citral

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

• Synonym(s): Citral, 3,7-Dimethyl-2,6-octadienal
• Linear Formula: (CH₃)₂C=CHCH₂CH₂C(CH₃)=CHCHO
• CAS Number: 5392-40-5
• Molecular Weight: 152.23
• UNSPSC Code: 12352114
• EC Index Number: 226-394-6
• NACRES: NA.22
• MDL number: MFCD00006997
• Form: liquid

Properties

• vapor pressure: <1 hPa ( 50 °C)
• Quality Segment: 200
• 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
• 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

Description

Analysis Note

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

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H317,H319
• pcodes: P261 - P264 - P272 - P280 - P302 + P352 - P305 + P351 + P338
• 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