SANDALMYSORE코어

2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

HCID 119897CAS 28219-60-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=CCC1CC=C(C)C1(C)C)CO
InChIKey: MTVBNJVZZAQKRV-UHFFFAOYSA-N
분자식: C13H22O
평균 분자량: 194.31 g/mol
단동위원소 질량: 194.16706532

이름 및 식별자

우선 이름: 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
IUPAC: 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
현지명: SANDALMYSORE코어
영어명: Sandalmysore Core
분자식: C13H22O
분자량: 194.31

이름 및 동의어

2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-DTXSID40865418EINECS 248-907-22-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)but-2-en-1-olRefChem:85945DTXCID90813828248-907-228219-60-52-METHYL-4-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)BUT-2-EN-1-OLsandal butenolSCHEMBL232038

이름 더 보기

SANDALMYSORE코어SantaliffMadrolSANDELICESantamanolSANDALMYSORE COREWhite Lehman Sandalwood2-Methyl-4-(2,2,3-trimethyl-3-cyclopentenyl)-2-butene-1-ol2-Methyl-4-(2,2,3-trimethyl-cyclopent-3-enyl)-but-2-en-1-ol

DB-240345NS00100383

데이터베이스 식별자

CAS: 28219-60-5
PubChem CID: 119897
DTXSID: DTXSID40865418
EC Number: 248-907-2

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 258

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol) -> IFRA transparency List

물리화학적 성질

끓는 점: 269.5 · 269.5±9.0 °C(Predicted)
밀도: 0.897 · 0.897±0.06 g/cm3(Predicted)
증기압: 0.003 Pa · 0.003Pa at 25℃
산도 계수 (pKa): 14.72 · 14.72±0.10(Predicted)
냄새: 100 %에서 · 100.00%에서. 샌달우드 크리미 우디 밀키 왁시 그리지 머스크
냄새 유형: 우디
수용성: 16.29 mg/L · 16.29mg/L
화장품 원료 기능: 향수
LogP: 4.65 · 4.65
EPA: 2 · 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (28219-60-5)

화학적 성질 · 1건

Sandalmysore Core is not found in nature. It is a clear, colorless liquid, d20 20 0.919–0.929, n20 D 1.483–1.493, with a powerful sandalwood odor. It is prepared by condensation of α-campholenaldehyde with propionaldehyde and reduction of the aldehyde group. It is used in perfume compositions for soaps and household products.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.8% (31 of 1676) of reports.

Warning

H315 (16.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1676 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Status: Active Update: 28-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19190

2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (16.2%)

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-25392

화학 및 산업

용도 및 제조

Household ProductsInformation on 4 consumer products that contain 2-Methyl-4-(2,2,3-Trimethyl-3-Cyclopentenyl)-2-Buten-1-Ol in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-: ACTIVE

공급사19 곳

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

吉水县益康天然香料油提炼厂0796-8128936 19070600085

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