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멘틸살리실레이트

Menthyl Salicylate

HCID 20055232
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
89-46-3
표준 SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1O
InChIKey
SJOXEWUZWQYCGL-DVOMOZLQSA-N
분자식
C17H24O3
평균 분자량
276.4 g/mol
단동위원소 질량
276.17254462

개요

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

이름 및 식별자

우선 이름
Menthyl Salicylate
IUPAC
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxybenzoate
현지명
멘틸살리실레이트
영어명
MENTHYL SALICYLATE
분자식
C17H24O3
분자량
276.37

이름 및 동의어

MENTHYL SALICYLATE89-46-31-Menthyl salicylateDTXSID804682243XOA705ZDBenzoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-EINECS 201-909-7MENTHYL SALICYLATE [MI]DTXCID80809573(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxybenzoateBenzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl esterBenzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
이름 더 보기
멘틸살리실레이트menthylSamolContrasolSalimentholMENTHYL SALICYLATE(RG)Sunburn preventive No.1Menthol salicylate ester
5-Methyl-2-(1-methylethyl)cyclohexyl 2-hydroxybenzoate2-Hydroxybenzoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl esterBenzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-RefChem:810983MENTHYL SALICYLATE [INCI]menthyl salicylate, (+/-)-rel-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-hydroxybenzoateNCGC00181042-01

물성

구조 계산 물성

XLogP
5.4
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
20
형식 전하
0
복잡도
326

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsMasking; Uv absorber
Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
25 °C · <25 °C
끓는 점
186 · 186-190 °C/12 mmHg (lit.)
밀도
1.04 g/mL · 1.04 g/mL at 20 °C (lit.)
굴절률
20 · n20/D 1.52
인화점
100 ℃ · 100℃
산도 계수 (pKa)
8.1 · 8.10±0.30(Predicted)
물리적 상태
liquid
Specific Gravity
1.05 · 1.05
냄새
무취 또는 약간의 과일 향
BRN
3097754 · 3097754
안정성
안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
화장품 원료 기능
자외선 흡수제향기
InChI
1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Chronic 4 (100%)

안전 데이터

wgk
3
tsca
TSCA listed
Hazard Classifications
Aquatic Chronic 4
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Menthol and methyl salicylate are known as counterirritants. They work by causing the skin to feel cool and then warm. Used together, they provide symptomatic relief for mild to moderate muscular and joint aches and pains, muscle cramps, shoulder aches and stiff neck..

Mechanism of Action · 1건

Menthol dilates the blood vessels causing a sensation of coldness, followed by an analgesic effect. Menthol also acts as a penetration enhancer, increasing the penetration of drugs when applied on the skin, to give a faster onset of action. Methyl salicylate is a salicylic acid derivative, and when combined with menthol, produces menthyl salicylate. Salicylates inhibit cyclooxygenase, thereby reducing the formation of prostaglandins, and cause platelet dysfunction Methyl salicylate is used topically as a counter-irritant. Upon application, it is absorbed through the skin and is applied for the relief of pain in rheumatic conditions and painful muscle or joints. The menthol dilates blood vessels, why the salicylate portion provides a topical anesthetic and analgesic action on the affected area. The cooling and warning action may interfere with the transmission of pain signals through nerves.

Absorption, Distribution and Excretion · 1건

May be absorbed through intact skin. The absorption of topical salicylates is proportional to the surface area exposed, the duration of exposure, concentration and skin integrity. Absorption characteristics of salicylates vary with the dose, formulation, and route of administration. Percutaneous absorption is enhanced by exercise, heat, occlusion, or disruption of the integrity of the skin or application to large areas of skin. Both the rate and extent of absorption increases after continuous application, increasing its bioavailability.

용도 및 제조

Use ClassificationCosmetics -> Masking; Uv absorber
General Manufacturing InformationBenzoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel-: INACTIVE

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
89-46-3
PubChem CID
20055232
DTXSID
DTXSID8046822
ChEBI
CHEBI:135976
UNII
43XOA705ZD
EC Number
201-909-7
Nikkaji
J276.317F
InChIKey
SJOXEWUZWQYCGL-UHFFFAOYSA-N
SMILES
CC(C)C1CCC(C)CC1OC(=O)c2ccccc2O
LogP
6.429 · 6.429 (est)
EPA
2 · Benzoic acid, 2-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, rel- (89-46-3)

화학적 성질

colourless to light yellow liquid

응용 분야 · 2건

개요Menthyl salicylate is almost odorless when pure. Slightly bitter-astringent taste. It carries the usual characteristics of a phenol, which are not exactly welcome by the perfumer.

용도Menthyl salicylate is an ester of menthol and salicylic acid. This product is used to treat minor aches and pains of the muscles/joints (e.g., arthritis, backache, sprains). It also as a "sun screen" to filter out ultraviolet light in Preparations for preventing sunburn.

제조 방법

Menthyl salicylate is produced by azeotropic esterification of Menthol with Salicylic acid, using a Benzene- or Toluene sulfonic acid catalyst.

공급사34 곳

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