4-tert-부틸사이클로헥실아세트산

2-(4-tert-Butylcyclohexyl)acetic acid

HCID 4150736

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 105906-07-8
표준 SMILES: CC(C)(C)C1CCC(CC(=O)O)CC1
InChIKey: UEERPCZVXPLDMN-UHFFFAOYSA-N
분자식: C12H22O2
평균 분자량: 198.3 g/mol
단동위원소 질량: 198.16197994

이름 및 식별자

우선 이름: 2-(4-tert-Butylcyclohexyl)acetic acid
IUPAC: 2-(4-tert-butylcyclohexyl)acetic acid
현지명: 4-tert-부틸사이클로헥실아세트산
영어명: 4-tert-Butylcyclohexyl acetic acid
분자식: C12H22O2
분자량: 198.3

이름 및 동의어

105906-07-82-(4-tert-butylcyclohexyl)acetic AcidDTXSID301347034RefChem:458348DTXCID801775749690-409-64-TERT-BUTYLCYCLOHEXYL ACETIC ACID2-(4-(tert-Butyl)cyclohexyl)acetic acid(4-tert-Butylcyclohexyl)acetic acid28125-18-0Cyclohexaneacetic acid,4-(1,1-dimethylethyl)-MFCD03414290

이름 더 보기

4-tert-부틸사이클로헥실아세트산SALOR-INT L128406-1EACyclohexaneacetic acid, 4-(1,1-dimethylethyl)-4-TERT-BUTYLCYCLOHEXYL ACETIC ACID ISO 9001：2015 REACH2-[4-(tert-Butyl)cyclohexyl]ethanoic acid, 1-(tert-Butyl)-4-(carboxymethyl)cyclohexane

trans-4-tert-butylcyclohexylacetic acidSelamectin Impurity 9Butylcyclohexyl acetic acidSCHEMBL429535SCHEMBL1551658SCHEMBL1552198SCHEMBL27786070UEERPCZVXPLDMN-MGCOHNPYSA-N

데이터베이스 식별자

CAS: 105906-07-8、28125-18-0
PubChem CID: 4150736
DTXSID: DTXSID301347034
EC Number: 608-166-1、690-409-6

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 195

물리화학적 성질

녹는점: 81 · 81-83 °C
끓는 점: 300.1 · 300.1±10.0 °C(Predicted)
밀도: 0.967 · 0.967±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)
InChI: InChI=1S/C12H22O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKey: UEERPCZVXPLDMN-UHFFFAOYSA-N
SMILES: C1(CC(O)=O)CCC(C(C)(C)C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2916200090
hazard_code: Xi

화학 및 산업

응용 분야 · 1건

용도4-Tert-Butylcyclohexyl acetic acid is used primarily in the fragrance industry due to its strong, woody, amber-like scent, serving as a key ingredient in perfumes, soaps, cosmetics, and household cleaning products . Additionally, it functions as a fixative agent in perfume formulations to enhance scent longevity .

상·하류 제품 정보

하류 제품

1,4-Naphthalenedione, 2-chloro-3-[[4-(1,1-dimethylethyl)cyclohexyl]methyl]-

공급사15 곳

砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]

扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]

泰州精英化成医药科技有限公司523-86810021 18921709486 · [email protected]

江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]

화합물 노트

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