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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 240
실험 및 물리화학적 성질
Kovats Retention Index
1769
1816.7;1805;1814;1807
Collision Cross Section
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
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- Liquid
- 산도 계수 (pKa)
- 8.13 · 8.13±0.30(Predicted)
- 색상
- 무색의 액체.
- 냄새
- 100 %에서 · 100.00%에서. 순한 난초 달콤한 발삼
- 냄새 유형
- 꽃향기
- 생물학적 소스
- synthetic
- 수용성
- 74.4 μg/L · 74.4μg/L at 20℃
- Merck
- 14 · 14,6770
- BRN
- 2730664 · 2730664
- 주요 응용
- 청소용품화장품환경향료 및 향음식 및 음료개인 위생 관리
- 화장품 원료 기능
- 광안정기자외선 흡수제자외선 필터
- InChI
- 1S/C15H22O3/c1-3-5-8-12(4-2)11-18-15(17)13-9-6-7-10-14(13)16/h6-7,9-10,12,16H,3-5,8,11H2,1-2H3
- InChIKey
- FMRHJJZUHUTGKE-UHFFFAOYSA-N
- SMILES
- CCCCC(CC)COC(=O)c1ccccc1O
- LogP
- 5.94 at · 5.94 at 25℃
- NIST
- 2 · Salicylic acid, 2-ethylhexyl ester(118-60-5)
- EPA
- 2 · 2-Ethylhexyl salicylate (118-60-5)
화학적 성질
liquid
안전 및 규제
GHS 분류
GHS Classification
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
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
독성 정보
Toxicity Summary
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
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
- safety_code
- 26-36/37/39
- Hazard Classifications
- Aquatic Chronic 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Absorption, Distribution and Excretion
Intended for local use only, no systemic absorption.
Intended for local use only, no systemic absorption.
Intended for local use only, no systemic absorption.
Intended for local use only, no systemic absorption.
용도 및 제조
Use Classification
Fragrance Ingredients
Cosmetics -> Uv absorber; Uv filter
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzoic acid, 2-hydroxy-, 2-ethylhexyl ester: ACTIVE
응용 분야
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
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