サリチル酸2-エチルヘキシル

2-Ethylhexyl salicylate

HCID 8364

基本情報

CAS
118-60-5
標準SMILES
CCCCC(CC)COC(=O)c1ccccc1O
InChIKey
FMRHJJZUHUTGKE-UHFFFAOYSA-N
分子式
C15H22O3
平均分子量
250.33 g/mol
単同位体質量
250.15689456

名称と識別子

優先名称
2-Ethylhexyl salicylate
IUPAC
2-ethylhexyl 2-hydroxybenzoate
現地名
サリチル酸2-エチルヘキシル
英語名
2-Ethylhexyl salicylate
分子式
C15H22O3
分子量
250.33

名称と別名

2-ETHYLHEXYL SALICYLATEOctisalate118-60-52-Ethylhexyl 2-hydroxybenzoateBenzoic acid, 2-hydroxy-, 2-ethylhexyl esterEscalolSalicylic Acid 2-Ethylhexyl EsterOctisalatoDTXSID7040734NSC-461514X49Y0596WDTXCID5020734
名称をさらに表示
サリチル酸2-エチルヘキシル2-ヒドロキシベンゼンカルボン酸2-エチルヘキシル2-ヒドロキシ安息香酸2-エチルヘキシルサリチル酸2エチルヘキシルサリチル酸 2-エチルヘキシル2-エタン-1-イルヘキサ-1-イル=2-ヒドロキシベンゾアートサリチル酸2-エチルヘキシル, 100 µg/mL in AcCNオクチサレート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

データベース識別子

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

物性

構造計算による物性

XLogP
5.7
極性表面積
46.5 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
8
重原子数
18

実験および物理化学的性質

Physical DescriptionLiquid
Kovats Retention Index · 2 件

1769

1816.7;1805;1814;1807

Collision Cross Section · 1 件

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]

物理化学的性質

沸点
189 · 189-190 °C/21 mmHg (lit.)
比重(密度)
1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
蒸気圧
0.018 Pa · 0.018Pa at 20℃
屈折率
20 · n20/D 1.502(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Refrigerator

化学的性質

化学的特性liquid

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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%)

毒性情報

Toxicity Summary · 2 件

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

法規制情報

Regulatory Information · 4 件

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

安全データ

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

化学と産業

薬理情報

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.

用途と製造

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 件

Fragrance Ingredients

Cosmetics -> Uv absorber; Uv filter

応用分野 · 3 件

天然物の起源Has apparently not been reported to occur in nature.

使用2-ethylhexyl salicylate is also known as ethylhexyl salicylate and octyl salicylate. It is a uVB absorber.

一般的な説明2-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.

調製方法

製造方法From 2-ethylhexanol and salicylic acid by azeotropic-type esterification (Arctander, 1969).

サプライヤー100 社

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]

補足説明

定義本品は、サリチル酸(*)と2-エチルヘキシルアルコールのエステルであり、次の化学式で表される。参照表示名称:サリチル酸

関連反応

1 件

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