Limonene oxide

HCID 91496CAS 1195-92-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
C=C(C)C1CCC2(C)OC2C1
InChIKey
CCEFMUBVSUDRLG-UHFFFAOYSA-N
분자식
C10H16O
평균 분자량
152.23 g/mol
단동위원소 질량
152.12011513

개요

Limonene 1,2-epoxide is an epoxide resulting from the formal epoxidation of the cyclic double bond of limonene. It has a role as a plant metabolite. It is a limonene monoterpenoid and an epoxide.

이름 및 식별자

우선 이름
Limonene oxide
IUPAC
1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
영어명
(+)-Limonene oxide 97% mixture of cis&
분자식
C10H16O
분자량
152.23

이름 및 동의어

Limonene oxide1195-92-21-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane(+)-Limonene oxidep-Menth-8-ene, 1,2-epoxy-MFCD000051271-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane1-Methyl-4-(1-methylethenyl)-7-oxabicyclo(4.1.0)heptaneNSC120451-Methyl-4-(1-methylvinyl)-7-oxabicyclo(4.1.0)heptane
이름 더 보기
Limonene epoxideeneoxyLiMonene oxydelimoneneepoxideD-LIMONENEOXIDElimonenemonoxidelimonene1,2-oxideLimonene monoxideLimonene 1,2-oxide
1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane1-methyl-4-(1-methylvinyl)-7-oxabicyclo[4.1.0]heptane7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-CCRIS 3763EINECS 214-805-1NSC 120451-methyl-4-(1-methylethenyl)-7-oxabicyclo(4.1.0)heptan1-methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptan

데이터베이스 식별자

CAS
1195-92-2、13837-75-7
PubChem CID
91496
DTXSID
DTXSID50862594
ChEMBL
CHEMBL2268547
ChEBI
CHEBI:16431
EC Number
214-805-1
Nikkaji
J236.493J、J27.205A

물성

구조 계산 물성

XLogP
2.5
극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
11

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (d-8-p-Menthene-1,2-epoxide) -> IFRA transparency List
Density0.926-0.936 (20 °C)
Solubility · 2건

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point198º
Refractive Index1.464-1.474
Physical Description · 2건

Liquid

Colourless to pale yellow liquid; fresh clean citrus aroma

물리화학적 성질

끓는 점
113 · 113-114 °C50 mm Hg(lit.)
밀도
0.929 g/mL · 0.929 g/mL at 25 °C(lit.)
FEMA
4655 · 4655 | D-8-P-MENTHENE-1,2-EPOXIDE
굴절률
20 · n20/D 1.466(lit.)
인화점
150 °F · 150 °F
저장 조건
2 · 2-8°C, stored under nitrogen

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 86% (98 of 114) of all reports.

Warning

H315 (14%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P271, P272, P280, P302+P352, P304+P340, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 114 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- 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)

7-Oxabicyclo4.1.0heptane, 1-methyl-4-(1-methylethenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (14%)

안전 데이터

wgk
3
tsca
TSCA listed
독성
mouse,LD50,intramuscular,100mg/kg (100mg/kg),Journal of Scientific and Industrial Research, Section C: Biological Sciences. Vol. 21, Pg. 342, 1962.

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesOdor agents
Use Classification · 3건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-: ACTIVE

상·하류 제품 정보

하류 제품

공급사38 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

추가 설명

정의ChEBI: An epoxide resulting from the formal epoxidation of the cyclic double bond of limonene.

관련 반응

6건
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