홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

3,7-디메틸노나-1,6-디엔-3-올

Ethyl linalool

HCID 6433547
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

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

개요

a fragrance ingredient; structure in first source

이름 및 식별자

우선 이름
Ethyl linalool
IUPAC
(6E)-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

Ethyl linalool10339-55-63,7-Dimethyl-1,6-nonadien-3-olDTXSID90474151,6-NONADIEN-3-OL, 3,7-DIMETHYL-EINECS 233-732-6AI3-35814SF2JS9GF5TDTXCID7027415EC 233-732-6MethyllinaloolRefChem:596251
이름 더 보기
3,7-디메틸노나-1,6-디엔-3-올에틸리날룰3,7-dimethylnona-1,6-dien-3-ol3,7-dimethylnona-1,6-dienMETHYL LINALOOLEthyl LinanloolRhodinol (Nature)3,7-dimethylnona-Ethyllinalool Technical
ETHYL LINALOOL [INCI]EthylLinanlool(6E)-3,7-dimethylnona-1,6-dien-3-olEthyl linalool, (E)-(+/-)-Ethyl linalool, (E)-Ethyl linalool, (E)-(+/-)-5AR9L4D49U92590-71-1

데이터베이스 식별자

CAS
10339-55-6、92590-71-1
PubChem CID
6433547
DTXSID
DTXSID9047415
ChEMBL
CHEMBL3186789
UNII
5AR9L4D49U
EC Number
233-732-6

물성

구조 계산 물성

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

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (3,7-Dimethyl-1,6-nonadien-3-ol) -> IFRA transparency List
Physical DescriptionLiquid; CBI

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

안전 및 규제

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

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 Information · 4건

Chemical: 1,6-Nonadien-3-ol, 3,7-dimethyl-

1,6-Nonadien-3-ol, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6-Nonadien-3-ol, 3,7-dimethyl- 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)

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

3,7-dimethyl-1,6-nonadien-3-ol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (88.1%)

독성 정보

Toxicity Summary · 1건

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 3,7-Dimethyl-1,6-nonadien-3-ol as described in this fragrance ingredient safety assessment. Data for 3,7-Dimethyl-1,6-nonadien-3-ol and from read-across analog linalool show that 3,7-dimethyl-1,6-nonadien-3-ol is not expected to be genotoxic. Data for read-across analog linalool provide a calculated Margin of Exposure (MOE) greater than 100 for the repeated dose toxicity, reproductive toxicity, and local respiratory toxicity endpoints, and show that there are no skin sensitization safety concerns for 3,7-dimethyl-1,6-nonadien-3-ol under the current declared levels of use. 3,7-Dimethyl-1,6-nonadien-3-ol s not expected to be photoirritating/photoallergenic based on evaluation of the ultraviolet/visible (UV/Vis) spectra.

화학 및 산업

용도 및 제조

U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 78 consumer products that contain Ethyl Linalool in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

1,6-Nonadien-3-ol, 3,7-dimethyl-: ACTIVE

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

공급사100 곳

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Nikkaji
J42.479J
LogP
3.3 · 3.3
EPA
1 · 1,6-Nonadien-3-ol, 3,7-dimethyl- (10339-55-6)
Environmental Fate/Exposure Summary · 1건

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 3,7-Dimethyl-1,6-nonadien-3-ol as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. Its risk quotients (RQs), based on the current volume of use (VoU) in Europe and North America, are less than 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
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
吉安市国光香料厂18607067153 18607067153
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
昌邑市隆昌生物化工有限公司+86-13256193735; +86-13256193735 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
江西林缘香料有限公司13879661494 13879661494
山东洛克化工有限公司17653113209 13065062079 · [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]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
广东大小化工有限公司1866-171603 18666171603 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
康迪斯化工(湖北)有限公司13125172151 · [email protected]
江西雪松天然药用油有限公司18679669723
上海兴鲁化工科技有限公司02120970332 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
海南瀚海致远生物科技有限公司18171012772 · [email protected]
南兴化工(江苏)有限公司0512-66387035 18662433356 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉欣扬瑞和化学科技有限公司13720181483 13720181483 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
湖北川合化工有限公司187-7130-7593 18672969259 · [email protected]
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
启源(广东)医药化工有限公司18026564465 · [email protected]