2-에틸헥실 살리실산염

2-Ethylhexyl salicylate

HCID 8364

기본 정보

CAS
118-60-5
표준 SMILES
CCCCC(CC)COC(=O)c1ccccc1O
InChIKey
FMRHJJZUHUTGKE-UHFFFAOYSA-N
분자식
C15H22O3
평균 분자량
250.33 g/mol
단동위원소 질량
250.15689456

이름 및 식별자

우선 이름
2-Ethylhexyl salicylate
IUPAC
2-ethylhexyl 2-hydroxybenzoate
현지명
2-에틸헥실 살리실산염
영어명
2-Ethylhexyl salicylate
분자식
C15H22O3
분자량
250.33

이름 및 동의어

2-ETHYLHEXYL SALICYLATEOctisalate118-60-52-Ethylhexyl 2-hydroxybenzoateBenzoic acid, 2-hydroxy-, 2-ethylhexyl esterEscalolSalicylic Acid 2-Ethylhexyl EsterOctisalatoDTXSID7040734NSC-461514X49Y0596WDTXCID5020734
이름 더 보기
2-에틸헥실살리실산염2-에틸헥실살리실산염에칠헥실살리실레이트Octyl 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
5.7
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
8
무거운 원자 수
18

실험 및 물리화학적 성질

Physical DescriptionLiquid
Kovats Retention Index · 2건

1769

1816.7;1805;1814;1807

Collision Cross Section · 1건

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]

물리화학적 성질

끓는 점
189 · 189-190 °C/21 mmHg (lit.)
밀도
1.014 g/mL · 1.014 g/mL at 25 °C (lit.)
증기압
0.018 Pa · 0.018Pa at 20℃
굴절률
20 · n20/D 1.502(lit.)
인화점
230 °F · >230 °F
저장 조건
Refrigerator

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 4건

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%)

독성 정보

Toxicity Summary · 2건

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

규제 정보

Regulatory Information · 4건

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

안전 데이터

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

화학 및 산업

약리 정보

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.

용도 및 제조

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 · 2건

Fragrance Ingredients

Cosmetics -> Uv absorber; Uv filter

응용 분야 · 3건

출처Has apparently not been reported to occur in nature.

용도2-ethylhexyl salicylate is also known as ethylhexyl salicylate and octyl salicylate. It is a uVB absorber.

일반 설명2-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.

제조 방법

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

공급사100 곳

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]

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