Basic information
- Standard SMILES
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1- InChIKey
IAJNXBNRYMEYAZ-UHFFFAOYSA-N- Molecular formula
- C18H15NO2
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.11027872
Overview
Etocrylene is a small molecule drug. Etocrylene has a monoisotopic molecular weight of 277.11 Da.
Names & identifiers
- Preferred name
- Etocrylene
- IUPAC
- ethyl 2-cyano-3,3-diphenylprop-2-enoate
- English name
- Ethyl 2-cyano-3,3-diphenylacrylate
- Molecular formula
- C18H15NO2
- Molecular weight
- 277.32
Names & synonyms
Show more names
Database identifiers
- CAS
5232-99-5- PubChem CID
- 243274
- DTXSID
DTXSID9044821- ChEMBL
CHEMBL1889451- UNII
- 974109G71I
- EC Number
- 226-029-0
- Nikkaji
- J8.822F
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 411
Experimental & physicochemical properties
Chemical Classes
Other Uses -> Sunscreens
UV filter
Vapor Pressure
0.00000036 [mmHg]
3.6X10-7 mm Hg @ 25 °C /Estimated/
Physical Description
Dry Powder; Other Solid
Solid; [HSDB] White odorless powder; [MSDSonline]
Physicochemical properties
- Melting point
- 97 · 97-99 °C(lit.)
- Boiling point
- 174 °C0.2 · 174 °C0.2 mm Hg(lit.)
- Density
- 1 · 1,05 g/cm3
- refractive index
- 1.51 · 1.5100 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Almost white
- Cosmetics Ingredients Functions
- UV ABSORBER
- InChI
- InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
- InChIKey
- IAJNXBNRYMEYAZ-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)/C(/C#N)=C(/C1=CC=CC=C1)\C1=CC=CC=C1
- LogP
- 4.52 · 4.520 (est)
- CAS DataBase Reference
- 5232 · 5232-99-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 974109 G71I · 974109G71I
- EPA Substance Registry System
- 2 · Ethyl 2-cyano-3,3-diphenylacrylate (5232-99-5)
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H410
- Precautionary statements
- 261 · P261-P264-P271-P273-P302+P352-P305+P351+P338
- Hazard Codes
- Xi,N
- Risk Statements
- 36 · 36/37/38-50/53
- Safety Statements
- 26 · 26-36-60-61
- RIDADR
- 3077 · UN 3077 9/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 6200000 · AT6200000
- TSCA
- TSCA listed
- HS Code
- 29269090 · 29269090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazardous Substances Data
- 5232 · 5232-99-5(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 79% (169 of 214) of all reports.
Warning
H315 (18.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 214 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl 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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16357
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Toxicology
Antidote and Emergency Treatment
/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AT6200000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29269090
- risk_code
- 36/37/38-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H410
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P271-P273-P302+P352-P305+P351+P338
- Hazardous Substances Data
- 5232-99-5(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Plastics Product Manufacturing
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester: ACTIVE
Applications
DescriptionEtocrylene (Ethyl 2-cyano-3,3-diphenylacrylate) is an organic ester that appears as an off-white crystalline powder and functions as a UV absorber. When applied to the skin, this product absorbs UV rays. It can also be used to protect cosmetics and personal care products from deterioration. This product can be used in the formulation of sun protection products, as well as bath, skin, cleansing, hair, nail and fragrance products.
UsesUltraviolet screen.
UsesEthyl 2-Cyano-3,3-diphenylacrylate is a sunscreen ingredient.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
Linked notes
Loading…