Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

trans-Retinal
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

trans-Retinal

 EINECS 204-135-8
CAS No. 116-31-4 Density 0.948g/cm3
PSA 17.07000 LogP 5.71690
Solubility <70mg/L(25 oC) Melting Point 61-63 °C
Formula C20H28O Boiling Point 421.4°C at 760 mmHg
Molecular Weight 284.442 Flash Point 205.4°C
Transport Information N/A Appearance Yellow powder
Safety 22-36/37 Risk Codes 22-38
Molecular Structure Molecular Structure of 116-31-4 (ALL-TRANS-RETINAL) Hazard Symbols HarmfulXn
Synonyms

Retinal,all-trans- (8CI);Retinene 1 (6CI);(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenal;2,4,6,8-Nonatetraenal, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(all-E)-;Axerophthal;E-Retinal;Retinaldehyde;Retinene;Vitamin A aldehyde;Vitamin A1 aldehyde;all-E-Retinal;all-trans-Retinal;all-trans-Retinaldehyde;all-trans-Vitamin A aldehyde;trans-Retinal;trans-Vitamin A aldehyde;

Article Data 125

trans-Retinal Synthetic route

20638-88-4

9-trans-13-trans-dimethyl-7-(1,1,5-trimethyl-5-cyclohexen-6-yl)-7,9,11,13-nonatetraene-15-nitrile

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With diisobutylaluminium hydride In hexane; Petroleum ether at -60 - -20℃; for 1h;95%
With diisobutylaluminium hydride In toluene at -5 - 0℃; for 1h; Inert atmosphere;26.2%

retinylidene-1,3-cyclooctanedione

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With methylamine In water; benzene for 0.333333h; Product distribution; Ambient temperature; retro-Knoevenagel fragmentation;93%

retinylidene-acetylacetone

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With methylamine In water; benzene for 0.5h; Product distribution; Ambient temperature; retro-Knoevenagel fragmentation;92%
472-86-6

13-cis-vitamin A aldehyde

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With iodine In diethyl ether; benzene for 48h; Ambient temperature;91%
In benzene-d6 at 80℃;10%
With silica gel In cyclohexane Quantum yield; Irradiation; excitation wavelength;
With iodine In n-heptane at 40℃; Rate constant;
70424-15-6

all-trans-retinylidene dimedone

A

116-31-4

all-trans-Retinal

B

126-81-8

dimedone

Conditions
ConditionsYield
With methylamine In water; benzene for 0.25h; Product distribution; Mechanism; Ambient temperature; retro-Knoevenagel fragmentation; variation of reaction conditions;A 91%
B 75%
68-26-8

RETINOL

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With manganese(IV) oxide In dichloromethane Ambient temperature;90%
With manganese(IV) oxide; sodium carbonate In dichloromethane for 4h; Inert atmosphere;90%
With manganese(IV) oxide90%
150542-38-4

3,7-dimethyl-9-phenylsulfonyl-9-<2,6,6-trimethylcyclohex-1-enyl>nona-2,4,6-trienal

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With sodium methylate In tetrahydrofuran; methanol for 240h; Ambient temperature;90%
68-26-8

RETINOL

A

472-86-6

13-cis-vitamin A aldehyde

B

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With manganese(IV) oxide In dichloromethane for 12h; Inert atmosphere; Fluorescence light;A 8%
B 90%
7235-40-7

beta-carotene

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With oxygen In water under 760.051 Torr; for 8h; Solvent; Reagent/catalyst;89%
With osmium(VIII) oxide; diethyl ether; sodium sulfate Reagens 4: wss. H2O2;
With chloroform; dihydrogen peroxide; acetic acid
With manganese(IV) oxide
68-26-8

RETINOL

630-19-3

pivalaldehyde

A

75-84-3

2,2-dimethyl-propanol-1

B

116-31-4

all-trans-Retinal

Conditions
ConditionsYield
With aluminum isopropoxide In waterA n/a
B 87%
With aluminum isopropoxide In water

trans-Retinal Consensus Reports

Reported in EPA TSCA Inventory.

trans-Retinal Specification

The trans-Vitamin A aldehyde is an organic compound with the formula C20H28O. The IUPAC name of this chemical is (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal. With the CAS registry number 116-31-4 and EINECS 204-135-8, it is also named as trans-trans-Retinal. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Retinoids. It is yellow powder which is corotenoid component of the visual pigments. When heated to decomposition it emits acrid smoke and irritating vapors.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.376; (4)ACD/LogD (pH 7.4): 6.376; (5)ACD/BCF (pH 5.5): 41285.77; (6)ACD/BCF (pH 7.4): 41285.77; (7)ACD/KOC (pH 5.5): 70076.586; (8)ACD/KOC (pH 7.4): 70076.586; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 94.15 cm3; (15)Molar Volume: 299.844 cm3; (16)Polarizability: 37.324×10-24 cm3; (17)Surface Tension: 35.126 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 205.369 °C; (20)Enthalpy of Vaporization: 67.544 kJ/mol; (21)Boiling Point: 421.428 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation and Uses of trans-Vitamin A aldehyde: By the catalysis of alcohol dehydrogenase and coenzyme I, II, Vitamin A can form cis-and trans trans-Retinal. trans-Vitamin A aldehyde is used as β-carotene intermediate. It also can react with methanol to get [7t,9t,11t,13t]retinoic acid methyl ester. This reaction needs reagents KCN, MnO2, AcOH and solvent methanol at ambient temperature. The reaction time is 12 hours. The yield is 98%.

trans-Vitamin A aldehyde can react with methanol to get [7t,9t,11t,13t]retinoic acid methyl ester

When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also irritating to skin. So people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure.
1. Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
2. Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
3. InChI: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
4. InChIKey: NCYCYZXNIZJOKI-OVSJKPMPSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 116-31-4