CAS 10339-55-6 3,7-Dimethylnona-1,6-dien-3-ol (HCID 25185)

기본 정보

CAS: 10339-55-6
표준 SMILES: C=CC(C)(O)CCC=C(C)CC
InChIKey: KRLBLPBPZSSIGH-UHFFFAOYSA-N
분자식: C11H20O
평균 분자량: 168.28 g/mol
단동위원소 질량: 168.15141526

이름 및 식별자

우선 이름: 3,7-Dimethylnona-1,6-dien-3-ol
IUPAC: 3,7-dimethylnona-1,6-dien-3-ol
현지명: 3,7-디메틸노나-1,6-디엔-3-올
영어명: Ethyl linalool
분자식: C11H20O
분자량: 168.28

이름 및 동의어

3,7-Dimethylnona-1,6-dien-3-olRefChem:487727DTXCID40809973DTXSID90860074NOCAS_860074SCHEMBL2966943,7-디메틸노나-1,6-디엔-3-올에틸리날룰3,7-dimethyl-1,6-nonadien-3-ol3,7-dimethylnona-1,6-dien1,6-Nonadien-3-ol, 3,7-dimethyl-ETHYL LINALOOL

이름 더 보기

METHYL LINALOOLEthyl LinanloolRhodinol (Nature)3,7-dimethylnona-Ethyllinalool Technical

데이터베이스 식별자

CAS: 10339-55-6
PubChem CID: 25185
EC Number: 233-732-6

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

끓는 점: 132 ℃ · 132℃ (86 Torr)
밀도: 0.857 · 0.857±0.06 g/cm3 (20 ºC 760 Torr)
증기압: 18 Pa · 18Pa at 25℃
굴절률: 1.4603 · 1.4603 (589.3 nm 25℃)
인화점: 90.9 · 90.9±15.0℃
산도 계수 (pKa): 14.45 · 14.45±0.29(Predicted)
색상: 무색의 약간 기름진 액체.
냄새: 100 %에서 · 100.00%에서. 프레시 부아 드 로즈 허브 웻 그린 라벤더 베르가못
냄새 유형: 꽃향기
수용성: 656 mg/L · 656mg/L at 20℃
화장품 원료 기능: 향수향기
InChI: InChI=1S/C11H20O/c1-5-10(3)8-7-9-11(4,12)6-2/h6,8,12H,2,5,7,9H2,1,3-4H3
InChIKey: KRLBLPBPZSSIGH-UHFFFAOYSA-N
SMILES: C=CC(C)(O)CCC=C(C)CC
LogP: 3.3 · 3.3
EPA: 1 · 1,6-Nonadien-3-ol, 3,7-dimethyl- (10339-55-6)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 10.5% (188 of 1792) of reports.

Warning

H315 (88.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1792 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationREACH registered substance: 3,7-dimethylnona-1,6-dien-3-ol (EC: 233-732-6)

Hazard Classes and CategoriesSkin Irrit. 2 (88.1%)

안전 데이터

tsca: TSCA listed
독성: Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1975).
기존화학 물질: KE-11560

화학 및 산업

응용 분야

출처Has apparently not been reported to occur in nature.

용도Ethyl Linalool is fresh bois de rose herbal wet green lavender bergamot. It has a floral, fresh, bergamot character and is sweeter and less agrestic than Linalool. As with Linalool, it is used in a wide variety of notes for floral bouquets.

제조 방법

From methyl ethyl ketone and acetylene through a series of reactions (Bedoukian, 1967).

상·하류 제품 정보

하류 제품

테트라하이드로-4-메틸-2-(2-메틸-1-프로페닐)-2H-피란

공급사102 곳

Hebei Jingbo New Material Technology Co., Ltd+86-19931165850 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

HebeiShuoshengImportandExportco.,Ltd+86-18532138899 · [email protected]

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]

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