메틸데센올

4-Methyl-3-decen-5-ol

HCID 163336

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 81782-77-6
표준 SMILES: CCC=C(C)C(O)CCCCC
InChIKey: WSTQLNQRVZNEDV-UHFFFAOYSA-N
분자식: C11H22O
평균 분자량: 170.29 g/mol
단동위원소 질량: 170.16706532

개요

a fragrance ingredient; structure in first source

이름 및 식별자

우선 이름: 4-Methyl-3-decen-5-ol
IUPAC: 4-methyldec-3-en-5-ol
현지명: 메틸데센올
영어명: 4-Methyl-3-decen-5-ol
분자식: C11H22O
분자량: 170.29

이름 및 동의어

4-Methyl-3-decen-5-ol3-Decen-5-ol, 4-methyl-DTXSID8052560RefChem:912670DTXCID5031133279-815-081782-77-64-methyl-3-decene-5-olSCHEMBL112320SCHEMBL28671445DB-075791메틸데센올

이름 더 보기

UNDECAVERTOL4-Methyldec-3-en-5-olFIGOVERTviolet decenolUNII:5S5I61TY7PUndecavertol 94499034-methyl-3-decen-5-o(E)-4-methyl-3-decen-5-ol

데이터베이스 식별자

CAS: 81782-77-6
PubChem CID: 163336
DTXSID: DTXSID8052560
EC Number: 279-815-0

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 6
무거운 원자 수: 12
형식 전하: 0
복잡도: 127

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (4-Methyl-3-decen-5-ol) -> IFRA transparency List

Physical DescriptionDry Powder; Liquid; Liquid; CBI

물리화학적 성질

끓는 점: 232.9 · 232.9±8.0 °C(Predicted)
밀도: 0.845 · 0.845±0.06 g/cm3(Predicted)
증기압: 1.1 Pa · 1.1Pa at 20℃
산도 계수 (pKa): 14.93 · 14.93±0.20(Predicted)
냄새: 100 % · 디프로필렌 글리콜에서 100.00%. 녹색 기름진 보라색 백합 초라한 과일 키위
냄새 유형: 녹색
수용성: 63 mg/L · 63mg/L at 20℃
화장품 원료 기능: 향기피부 컨디셔닝향수
LogP: 3.9 · 3.9
EPA: 3 · 3-Decen-5-ol, 4-methyl- (81782-77-6)

화학적 성질 · 1건

4-Methyl-3-decen-5-ol is a colorless to pale yellow liquid with a powerful, rich, fresh, green, floral, violet-leaf-like odor. It is used in modern perfume oils as a substitute for the methyl alkynoates and is found in perfume oils for nearly all applications. 4-Methyl-3-decen-5-ol is prepared by Grignard reaction of pentylmagnesium bromide and 2-methyl-2-pentenal.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 10.7% (191 of 1777) of reports.

Warning

H400 (89.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

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

Aggregated GHS information provided per 1777 reports by companies from 9 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 5건

Chemical: 3-Decen-5-ol, 4-methyl-

3-Decen-5-ol, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Decen-5-ol, 4-methyl- 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.

Status: Active Update: 28-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12744

3-Decen-5-ol, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Acute 1 (89.1%)

안전 데이터

tsca: TSCA listed
기존화학 물질: KE-23749

화학 및 산업

용도 및 제조

U.S. Production2023: 8,500,000 - <10,000,000 lb

Consumer UsesOther

Industry UsesFragrance

Household ProductsInformation on 64 consumer products that contain 4-Methyl-3-Decen-5-Ol in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

3-Decen-5-ol, 4-methyl-: ACTIVE

공급사73 곳

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

绍兴久孚新材料科技有限公司0575-87095566 18067860628 · [email protected]

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