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안식향산,2-히드록시-,시클로헥실에스테르

Cyclohexyl salicylate

HCID 101330
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
25485-88-5
표준 SMILES
O=C(OC1CCCCC1)c1ccccc1O
InChIKey
NUQDJSMHGCTKNL-UHFFFAOYSA-N
분자식
C13H16O3
평균 분자량
220.26 g/mol
단동위원소 질량
220.10994437

개요

odorant stimulant

이름 및 식별자

우선 이름
Cyclohexyl salicylate
IUPAC
cyclohexyl 2-hydroxybenzoate
현지명
안식향산,2-히드록시-,시클로헥실에스테르
영어명
Benzoicacid,2-hydroxy-,cyclohexylester
분자식
C13H16O3
분자량
220.26

이름 및 동의어

Cyclohexyl salicylateCyclohexyl 2-hydroxybenzoate25485-88-5Benzoic acid, 2-hydroxy-, cyclohexyl esterT78SEL6WEFNSC-406675DTXSID2051928RefChem:565577DTXCID1030490400-410-3607-733-0Cyclohexyl o-hydroxybenzoate
이름 더 보기
안식향산,2-히드록시-,시클로헥실에스테르Cyclohexyl salicylatCyclohexy salicylate2-Hydroxybenzoic acid=cyclohexyl2-Hydroxybenzoic acid cyclohexyl
Salicylic acid, cyclohexyl esterSalicylate de cyclohexyleCyclohexylsalicylateSalicylate de cyclohexyle [French]NSC 406675BRN 2728574Benzoicacid,2-hydroxy-,cyclohexylesterUNII-T78SEL6WEF

데이터베이스 식별자

CAS
25485-88-5
PubChem CID
101330
DTXSID
DTXSID2051928
UNII
T78SEL6WEF
EC Number
400-410-3、607-733-0
Nikkaji
J354.749C

물성

구조 계산 물성

XLogP
4.2
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
16
형식 전하
0
복잡도
233

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Cyclohexyl salicylate) -> IFRA transparency List
PlasticizersPlasticizer
Physical DescriptionCBI; Liquid

물리화학적 성질

끓는 점
192 · 192-193 °C(Press: 30 Torr)
밀도
1.17 · 1.17±0.1 g/cm3(Predicted)
증기압
0.001 · 0.001-0.055Pa at 20℃
산도 계수 (pKa)
8.13 · 8.13±0.30(Predicted)
냄새
100 %에서 · 100.00%에서. 꽃 발삼 달콤한 녹색
냄새 유형
꽃향기
LogP
4.5 · 4.5-4.7 at 35℃ and pH7
표면장력
65 · 65-72.8mN/m at 1.1-5mg/L and 18.5-25℃
EPA
2 · Benzoic acid, 2-hydroxy-, cyclohexyl ester (25485-88-5)

화학적 성질

Cyclohexyl Salicylate is not found in nature. It is a colorless liquid, bp4 Pa 115°C, d2525 1.112, n20D 1.532–1.536, with aromatic, floral balsamic odor. It is used in perfumery instead of benzyl salicylate.

안전 및 규제

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

GHS 분류

GHS Classification · 6건

H411 (> 99.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3156 reports by companies from 6 notifications to the ECHA C&L Inventory.

H411 (95.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 176 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

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

Benzoic acid, 2-hydroxy-, cyclohexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2-hydroxy-, cyclohexyl 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: cyclohexyl salicylate (EC: 400-410-3)

Benzoic acid, 2-hydroxy-, cyclohexyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 2건

Aquatic Chronic 2 (95.5%)

Aquatic Chronic 2 (> 99.9%)

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-20373

화학 및 산업

용도 및 제조

U.S. Production2023: 7,000,000 - <8,500,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 5 consumer products that contain Benzoic acid, 2-hydroxy-, cyclohexyl ester in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

Benzoic acid, 2-hydroxy-, cyclohexyl ester: ACTIVE

공급사21 곳

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
陕西晶和医药科技有限公司029-86062279 13324594253 · [email protected]
厦门志信化学有限公司

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BOC Sciences+1-631-485-4226 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]