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Basic Information
CAS No.: 2499-95-8
Name: N-HEXYL ACRYLATE
Article Data: 15
Molecular Structure:
Molecular Structure of 2499-95-8 (N-HEXYL ACRYLATE)
Formula: C9H16 O2
Molecular Weight: 156.225
Synonyms: Acrylicacid, hexyl ester (6CI,7CI,8CI); Hexyl 2-propenoate; Hexyl acrylate; NSC 11786;n-Hexyl acrylate
Density: 0.889g/cm3
Melting Point: -45°C
Boiling Point: 88-90 °C24 mm Hg(lit.)
Flash Point: 58.3°C
Solubility: 57.4mg/L at 20℃
Appearance: clear colorless liquid
Hazard Symbols:
Risk Codes: 36/37/38-43-51/53
Safety: Mildly toxic by skin contact. See also ESTERS. When heated to decomposition it emits acrid smoke and fumes.
PSA: 26.30000
LogP: 2.29590
Synthetic route
3295-94-1

hexyl 2-propenyl ether

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; [bis(acetoxy)iodo]benzene; magnesium acetate In decane; butyl butyrate at 0℃; chemoselective reaction;91%
814-68-6

acryloyl chloride

111-27-3

hexan-1-ol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
In dichloromethane at 20℃; for 0.5h; Inert atmosphere;83.4%
With triethylamine In tetrahydrofuran at 10 - 20℃; for 3h;81%
With potassium carbonate In tetrahydrofuran
With triethylamine In chloroform at 10℃; for 12h;
133122-99-3

acrylic acid-6-iodohexyl ester

A

2499-95-8

n-hexyl acrylate

B

797-29-5

1,11-dioxacycloisocosane

C

6008-27-1

oxecan-2-one

Conditions
ConditionsYield
With sodium cyanoborohydride In methanol for 3h; Ambient temperature; Irradiation; Yields of byproduct given;A n/a
B n/a
C 74%
With sodium cyanoborohydride In methanol for 3h; Ambient temperature; Irradiation; Yield given;A n/a
B n/a
C 74%
79-10-7

acrylic acid

111-27-3

hexan-1-ol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 8h; Reflux;62.6%
With alkanesulfonic acid; toluene at 120℃;
With zirconium(IV) oxychloride at 50℃; for 24h;61 % Chromat.
2177-18-6

vinyl acrylate

111-27-3

hexan-1-ol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
In 2,2,4-trimethylpentane at 37℃; immobilized lipase from Candida cylindracea;40%
In 2,2,4-trimethylpentane at 37℃; immobilized lipase from Candida cylindracea; transesterification, other alcohols; also with vinyl methacrylate;40%
292638-85-8

acrylic acid methyl ester

111-27-3

hexan-1-ol

2499-95-8

n-hexyl acrylate

629-11-8

1,6-hexanediol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 47percent HBr / toluene / Heating
2: NaI / acetone / Ambient temperature
3: p-TolSO3H / benzene / Heating
4: NaBH3CN / methanol / 3 h / Ambient temperature; Irradiation
View Scheme
4286-55-9

1-bromo-6-hexanol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: NaI / acetone / Ambient temperature
2: p-TolSO3H / benzene / Heating
3: NaBH3CN / methanol / 3 h / Ambient temperature; Irradiation
View Scheme
40145-10-6

1-iodohexan-6-ol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: p-TolSO3H / benzene / Heating
2: NaBH3CN / methanol / 3 h / Ambient temperature; Irradiation
View Scheme
111-27-3

hexan-1-ol

2499-95-8

n-hexyl acrylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydride / tetrahydrofuran
2: tert.-butylhydroperoxide; [bis(acetoxy)iodo]benzene; magnesium acetate / decane; butyl butyrate / 0 °C
View Scheme
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Chemistry

Product Name: Hexyl acrylate (CAS NO.2499-95-8)


Molecular Formula: C9H16O2
Molecular Weight: 156.22g/mol
Mol File: 219-698-5.mol
Appearance: Clear colorless liquid
Melting Point: -45°C
Boiling point: 191.6 °C at 760 mmHg
Flash Point: 58.3 °C
Density: 0.888 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.428(lit.)
Surface Tension: 27.9 dyne/cm
Enthalpy of Vaporization: 42.78 kJ/mol
Vapour Pressure: 0.51 mmHg at 25°C
XLogP3: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 2
Product Categories: AcrylateCarbonyl Compounds; Acrylic Monomers; C8 to C9; Esters; Monomers

Toxicity Data With Reference

1.    

orl-rat LD50:26 g/kg

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
2.    

skn-rbt LD50:5660 mg/kg

    AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by skin contact. See also ESTERS. When heated to decomposition it emits acrid smoke and fumes.
Safety Information of Hexyl acrylate (CAS NO.2499-95-8):
Hazard Codes: Xi,N
Risk Statements: 36/37/38-43-51/53 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
43:  May cause sensitization by skin contact
51:  Toxic to aquatic organisms  
53:  May cause long-term adverse effects in the aquatic environment 
Safety Statements: 24-26-37-61
24:  Avoid contact with skin  
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
37:  Wear suitable gloves
61:  Avoid release to the environment. Refer to special instructions safety data sheet

Specification

 Hexyl acrylate ,its CAS NO. is 2499-95-8,the synonyms is n-Hexyl acrylate ; 2-Propenoic acid,n-hexyl ester ; 2-Propenoicacid,hexylester ; Acrylic acid, hexyl ester ; Acrylicacid,hexylester ; Ageflex fa-6 ; Ageflex n-ha ; Ageflexn-ha .