Basic information
- CAS
2499-95-8- Standard SMILES
C=CC(=O)OCCCCCC- InChIKey
LNMQRPPRQDGUDR-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- Hexyl acrylate
- IUPAC
- hexyl prop-2-enoate
- English name
- N-HEXYL ACRYLATE
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
Hexyl acrylate2499-95-8n-Hexyl acrylate2-PROPENOIC ACID, HEXYL ESTERAgeflex n-HAHexyl 2-propenoateAcrylic acid, hexyl esterDTXSID5022194NSC-11786X0670P452ADTXCID702194RefChem:146331
Show more names
ageflexn-ha408905-25MLAgeflex FA-6hexyl2-propenoateAcrylic acid hexyl
219-698-5hexyl prop-2-enoaten-HexylacrylateAcrylic Acid Hexyl EsterMFCD00048881NSC 11786ALLYLN-HEXYLETHERCCRIS 7038
Database identifiers
- CAS
2499-95-8- PubChem CID
- 17259
- DTXSID
DTXSID5022194- ChEMBL
CHEMBL3561313- UNII
- X0670P452A
- EC Number
- 219-698-5
- Nikkaji
- J33.800A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
SpringerMaterials PropertiesBoiling point
LogP3.3
DensityRelative density (water = 1): 0.9
SolubilitySolubility in water, g/100ml: 0.04 (very poor)
Flash Point68 °C c.c.
Boiling Point188 °C
Melting Point-45 °C
Vapor DensityRelative vapor density (air = 1): 5.4
Physical Description
Liquid
Liquid; [ICSC] Colorless liquid; [MSDSonline]
COLOURLESS LIQUID.
Physicochemical properties
- Melting point
- -45 °C · -45°C
- Boiling point
- 88 · 88-90 °C24 mm Hg(lit.)
- Density
- 0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
- vapor pressure
- 1.3 hPa · 1.3hPa at 20℃
- refractive index
- 20 · n20/D 1.428(lit.)
- Flash point
- 155 °F · 155 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow
- Viscosity
- 13 cp · 13cp (25C)
- Water Solubility
- 57.4 mg/L · 57.4mg/L at 20℃
- FreezingPoint
- -45 · -45
- BRN
- 1757327 · 1757327
- InChI
- 1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h4H,2-3,5-8H2,1H3
- InChIKey
- LNMQRPPRQDGUDR-UHFFFAOYSA-N
- SMILES
- CCCCCCOC(=O)C=C
- LogP
- 4.2 at · 4.2 at 40℃
- CAS DataBase Reference
- 2499 · 2499-95-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 670 P452A · X0670P452A
- EPA Substance Registry System
- Hexyl acrylate (2499-95-8)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335-H410
- Precautionary statements
- 261 · P261-P264-P273-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,N
- Risk Statements
- 36 · 36/37/38-43-51/53
- Safety Statements
- 24 · 24-26-37-61
- RIDADR
- 3082 · 3082
- WGK Germany
- 2 · 2
- RTECS
- 1450000 · AT1450000
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29161290 · 29161290
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1BSTOT SE 3
- Hazardous Substances Data
- 2499 · 2499-95-8(Hazardous Substances Data)
- Toxicity
- 50 · rabbit,LD50,skin,5660uL/kg (5.66mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 2-Propenoic acid, hexyl ester
2-Propenoic acid, hexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, hexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25826
Fire HazardsCombustible. Above 68 °C explosive vapour/air mixtures may be formed.
Hazards Summary
Emergency treatment: Irritants; Acrylic acid esters of lower molecular weight cause skin, eye, and mucous membrane irritation; [HSDB] A skin, eye, and respiratory tract irritant; This substance or an additive may cause skin sensitization; [ICSC]; Combustible; Stabilized with hydroquinone; A severe eye irritant; May cause mild skin burns on prolonged contact; [MSDSonline]
EC ClassificationSymbol: Xi, N; R: 36/37/38-43-51/53; S: (2)-24-26-37-61
UN ClassificationUN Hazard Class: 9; UN Pack Group: III
Chemical DangersThe substance may polymerize. Decomposes on heating. This produces acrid fumes (acrylic acid, acrolein).
Physical DangersVapours are uninhibited and may polymerize in vents or flame arresters, causing blockage.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye irritation - category 2
STOT SE 3
Explosive Limits and PotentialExplosive limits , vol% in air: 0.9-?
Safety & protection
Fire FightingUse dry powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest.
Remove contaminated clothes. Rinse and then wash skin with water and soap.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth. Give one or two glasses of water to drink. Rest. Seek medical attention if you feel unwell.
Safe StorageStore only if stabilized. Cool. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.
Spillage Disposal
Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Preventive MeasuresADEQUATE EXHAUST VENTILATION SHOULD BE PROVIDED TO PROTECT THE WORKER FROM INHALATION OF FUMES. WORKERS SHOULD BE PROVIDED WITH HAND PROTECTION & EYE & FACE PROTECTION. MAINTENANCE & GOOD HOUSEKEEPING SHOULD BE ENSURED. /ACRYLIC RESINS/
Eye PreventionWear safety spectacles or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Above 68 °C use a closed system and ventilation.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
Skin PreventionProtective gloves. Protective clothing.
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse ventilation, local exhaust or breathing protection.
Effects of Long Term ExposureRepeated or prolonged contact may cause skin sensitization.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesThe substance can be absorbed into the body by inhalation of its aerosol.
Signs and Symptoms
Cough. Sore throat.
Redness. Pain.
Redness.
Sore throat.
ICSC Environmental DataThe substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment.
Human Toxicity ExcerptsTHE LOWER-MOLECULAR-WT ESTERS OF ACRYLIC ACIDS ARE IRRITANTS TO SKIN, EYES, & MUCOUS MEMBRANES. /ESTERS OF ACRYLIC ACID/
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AT1450000
- ridadr
- 3082
- hs_code
- 29161290
- Toxicity
- rabbit,LD50,skin,5660uL/kg (5.66mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
- risk_code
- 36/37/38-43-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 24-26-37-61
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H319-H335-H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2Skin Sens. 1BSTOT SE 3
- Precautionary statements
- P261-P264-P273-P280-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 2499-95-8(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
Uses
Used as a comonomer in polymers for adhesives and as a reactive diluent (viscosity index improver); [HSDB]
COMONOMER, EG, FOR POLYMERS USED IN ADHESIVES
REACTIVE DILUENT FOR USE AS A VISCOSITY INDEX IMPROVER
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 75,000 - <500,000 lb
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Industry UsesMonomers
Methods of ManufacturingTRANSESTERIFICATION OR ESTERIFICATION OF N-HEXYL ALCOHOL WITH EITHER METHYL ACRYLATE OR ACRYLIC ACID
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2-Propenoic acid, hexyl ester: ACTIVE
Applications
UsesHexyl acrylate is a an initiator in Photo-initiated CVD[1].
General DescriptionPoly(hexyl acrylate-co-1,4-butanediol diacrylate-co-[2-(acryloyloxy)ethyl]trimethyl ammonium chloride) can be prepared by the photopolymeirzation of hexyl acrylate and several other components. These polyacrylate-based monolithics were designed to be used for capillary electrochromatography (CEC). Mutagenicity of this acrylate ester was evaluated by the Salmonella-microsome test.
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Related reactions
2 records
Compound notes
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