2-Ethylhexyl salicylate

HCID 8364
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
118-60-5
Standard SMILES
CCCCC(CC)COC(=O)c1ccccc1O
InChIKey
FMRHJJZUHUTGKE-UHFFFAOYSA-N
Molecular formula
C15H22O3
Average molar mass
250.33 g/mol
Monoisotopic mass
250.15689456

Names & identifiers

Preferred name
2-Ethylhexyl salicylate
IUPAC
2-ethylhexyl 2-hydroxybenzoate
English name
2-Ethylhexyl salicylate
Molecular formula
C15H22O3
Molecular weight
250.33

Names & synonyms

2-ETHYLHEXYL SALICYLATEOctisalate118-60-52-Ethylhexyl 2-hydroxybenzoateBenzoic acid, 2-hydroxy-, 2-ethylhexyl esterEscalolSalicylic Acid 2-Ethylhexyl EsterOctisalatoDTXSID7040734NSC-461514X49Y0596WDTXCID5020734
Show more names
Octyl salicylateOCTISALATE,USPNeo Heliopan OSSALICYLIC ACID OCTYL ESTERSALICYLIC ACID-2-ETHYL-1-HEXYL ESTERWMOusafdo-11
OCTYLSALICYLATEoctisalatumTanning OilRefChem:856053Arizona Sun Tanning Oil SPF 3204-263-4Ethylhexyl salicylateSunarome WMO

Database identifiers

CAS
118-60-5
PubChem CID
8364
DTXSID
DTXSID7040734
ChEMBL
CHEMBL1329203
ChEBI
CHEBI:88639
UNII
4X49Y0596W
EC Number
204-263-4
Nikkaji
J82.395C

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
18

Experimental & physicochemical properties

Physical DescriptionLiquid
Kovats Retention Index · 2 items

1769

1816.7；1805；1814；1807

Collision Cross Section · 1 item

151.39 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；154.54 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；158.92 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；161.26 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Boiling point
189 · 189-190 °C/21 mmHg (lit.)
Density
1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
vapor pressure
0.018 Pa · 0.018Pa at 20℃
refractive index
20 · n20/D 1.502(lit.)
Flash point
230 °F · >230 °F
storage temp.
Refrigerator

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 0.8% (14 of 1669) of reports.

Warning

H315 (84.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H410 (14.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1669 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 14 of 1669 reports by companies.；There are 8 notifications provided by 1655 of 1669 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester

Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, 2-ethylhexyl 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: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14203

Ethyl hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (84.7%)；Aquatic Chronic 1 (14.4%)

Toxicology

Toxicity Summary · 2 items

The Panel concluded that the following ingredients are safe in cosmetics in the present practices of use and concentration described in the safety assessment, when formulated to be non-irritating and non-sensitizing, which may be based on a quantitative risk assessment (QRA)...Ethylhexyl Salicylate...

Safe for use in cosmetics, with qualifications

Regulatory information

Regulatory Information · 4 items

Chemical: Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester

Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, 2-ethylhexyl 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: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14203

Ethyl hexyl salicylate: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
-
tsca
TSCA listed
rtecs
VO3150000
hs_code
2918230000
Toxicity
LD50 intraperitoneal in mouse: 200mg/kg
risk_code
36/37/38

Chemistry & industry

Pharmacology

Protein BindingIntended for local use only, no systemic absorption.
PharmacodynamicsData not found.
Mechanism of ActionChemical sunscreen, it acts through absorption of UVB light and not UVA.
Biological Half-LifeIntended for local use only, no systemic absorption.
Metabolism/MetabolitesIntended for local use only, no systemic absorption.
MeSH Pharmacological ClassificationChemical or physical agents that protect the skin from sunburn and erythema by absorbing or blocking ultraviolet radiation.

Uses & manufacturing

UsesCIR ingredient: Ethylhexyl Salicylate
U.S. Production2023: 37,038 lb；2022: 52,911 lb；2021: 63,660 lb；2020: 40,124 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 101 consumer products that contain Octisalate in the following categories is provided:；• Personal Care；• Pet Care
Use Classification · 2 items

Fragrance Ingredients

Cosmetics -> Uv absorber; Uv filter

Applications · 6 items

OccurrenceHas apparently not been reported to occur in nature.

UsesSolvent for solid sunscreens.

Uses2-ethylhexyl salicylate is also known as ethylhexyl salicylate and octyl salicylate. It is a uVB absorber.

Usesoctisalate is a uVB protector. This is the drug name for ethylhexyl salicylate and octyl salicylate.

Usesethylhexyl salicylate is an FDA-approved uVB sunscreen chemical, it absorbs within the entire uVB range. It has an approved usage level of 3 to 5 percent in both the united States and the european union, and is a good solubilizer for benzophenone-3. In suntan lotions, it is used as a preservative and anti-microbial. This is a salt of salicylic acid occurring in wintergreen leaves and in other plants. It is also synthetically manufactured. It is considered a non-comedogenic raw material. This is the InCI name for octyl salicylate.

General Description2-Ethylhexyl salicylate(EHS) is an organic ultraviolet(UV) absorber that can be used as a photostable ingredient in cosmetic formulations. It shows an absorption spectra in the range of 280-320 nm in the UV region.

Preparation methods

PreparationFrom 2-ethylhexanol and salicylic acid by azeotropic-type esterification (Arctander, 1969).

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: Ethylhexyl salicylate is a benzoate ester and a member of phenols. It is functionally related to a salicylic acid.

Related reactions

1 records
New reaction record

Compound notes

Loading…