ChemicalBook--->CAS DataBase List--->116-26-7

116-26-7

116-26-7 Structure

116-26-7 Structure
IdentificationBack Directory
[Name]

SAFRANAL
[CAS]

116-26-7
[Synonyms]

SAFRANAL
FEMA 3389
SAFRANAL 88+%
Safranal (>80%)
SAFRANAL USP/EP/BP
SAFRANAL TECHN. ABOUT 95%
2,6,6-Trimethyl-1,3-cyclohexadienal
2,3-Dihydro-2,2,6-trimethylbenzalhyde
2,3-DIHYDRO-2,2,6-TRIMETHYLBENZALDEHYDE
1,1,3-TRIMETHYL-2-FORMYLCYCLOHEXA-2,4-DIENE
(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)METHANAL
2,6,6-triMethylcyclohexa-1,3-dienecarbaldehyde
Safranal,2,3-Dihydro-2,2,6-trimethylbenzaldehyde
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
2,6,6-Trimethyl-1,3-cyclohexadiene-1-carbaldehyde
2,6,6-trimethyl-3-cyclohexadiene-1-carboxaldehyde
3-Cyclohexadiene-1-carboxaldehyde,2,6,6-trimethyl-1
2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde
2,6,6-Trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
safranal,2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
[EINECS(EC#)]

204-133-7
[Molecular Formula]

C10H14O
[MDL Number]

MFCD00209531
[MOL File]

116-26-7.mol
[Molecular Weight]

150.22
Chemical PropertiesBack Directory
[Melting point ]

<25 °C
[Boiling point ]

70 °C1 mm Hg(lit.)
[density ]

0.966 g/mL at 25 °C(lit.)
[vapor pressure ]

10.3Pa at 20℃
[FEMA ]

3389 | 2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL METHANAL
[refractive index ]

n20/D 1.523(lit.)
[Fp ]

186 °F
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[solubility ]

Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Yellow to Dark Yellow
[Odor]

at 1.00 % in dipropylene glycol. fresh herbal phenolic metallic rosemary tobacco spicy
[biological source]

synthetic
[Odor Type]

herbal
[Water Solubility ]

514.9mg/L at 20℃
[JECFA Number]

977
[Merck ]

13,8394
[BRN ]

1932918
[Stability:]

Light Sensitive
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3
[InChIKey]

SGAWOGXMMPSZPB-UHFFFAOYSA-N
[SMILES]

CC1=C(C=O)C(C)(C)CC=C1
[LogP]

2.7 at 20℃
[EPA Substance Registry System]

1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl- (116-26-7)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H317-H319-H411
[Precautionary statements ]

P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1A
Hazard InformationBack Directory
[Chemical Properties]

2,6,6-Trimethylcyclohexa-1,3-dienyl methanal has a characteristic saffron-like odor and taste.
[Occurrence]

Occurring naturally as a glucoside (picrocrocin) in saffron. Also reported found in grapefruit juice, saffron, black tea, green tea, microbial fermented tea, Bourbon vanilla, lemon balm, grapefruit juice, maté and sweet grass oil.
[Uses]

Safranal, is isolated from Saffron, and is primarily responsible for the aroma of saffron. It has also been shown to have anticonvulsant properties, acting as agonist at GABAA receptors. It is also possessing anticancer and antidepressant properties.
[Definition]

ChEBI: A monoterpenoid formally derived from beta-cyclocitral by dehydrogenation.
[Preparation]

By acid hydrolysis of picrocrocin, the bitter principle in saffron; by catalytic dehydrogenation of β-cyclocitral or α-cyclogeranic acid with selenium dioxide.
[Taste threshold values]

Taste characteristics at 1 ppm: woody, medicinal, spicy and camphoraceous with a fruity and herbal nuance.
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

SAFRANAL(116-26-7)1HNMR
SAFRANAL(116-26-7)FT-IR
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