기본 정보
- CAS
1365-19-1- 표준 SMILES
C=CC1(C)CCC(C(C)(C)O)O1- InChIKey
BRHDDEIRQPDPMG-UHFFFAOYSA-N- 분자식
- C10H18O2
- 평균 분자량
- 170.25 g/mol
- 단동위원소 질량
- 170.13067982
개요
Linalyl oxide is a member of oxolanes.
이름 및 식별자
- 우선 이름
- Linalool, oxide
- IUPAC
- 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
- 현지명
- 2-메틸-2-바이닐-5-(1-하이드록시아이소프로필)테트라하이드로퓨란
- 영어명
- Linalool oxide
- 분자식
- C10H18O2
- 분자량
- 170.25
이름 및 동의어
Linalool oxideDTXSID60863673RefChem:472774DTXSID6052746DTXCID30812259215-723-91365-19-14UJJ55KMCSFEMA No. 3746Linalool, epoxydihydro-Linalool, oxide60047-17-8
이름 더 보기
2-메틸-2-바이닐-5-(1-하이드록시아이소프로필)테트라하이드로퓨란FEMA 3746Linalol oxideLINALOOL OXIDE NATURAL188 ℃1.440～1.4600.935 ～0.950LinalooloxidLinolooloxide
Linalyl oxideEpoxylinalool2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-olLinolool oxide2-(2-Hydroxy-2-propyl)-5-methyl-5-vinyltetrahydrofuranMFCD000535432-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol
데이터베이스 식별자
- CAS
1365-19-1、34995-77-2、5989-33-3、60047-17-8- PubChem CID
- 22310
- DTXSID
DTXSID60863673- ChEMBL
CHEMBL2228375- ChEBI
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 186
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol) -> IFRA transparency List
Fragrance Ingredient (Linalool oxide) -> IFRA transparency List
LogP
2.43
2.43
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Boiling Point193.00 to 194.00 °C. @ 760.00 mm Hg
Melting Point128.30 °C. @ 0.00 mm Hg
물리화학적 성질
- 끓는 점
- 188 °C · 188°C
- 밀도
- 0.945 g/mL · 0.945 g/mL at 20 °C(lit.)
- 증기압
- 1.58 · 1.58-2.1hPa at 20-25℃
- 굴절률
- 20 · n20/D 1.452
- FEMA
- 3746 · 3746 | LINALOOL OXIDE
- 인화점
- 63 °C · 63°C
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 3 · CDCl3 : 125 mg/mL (734.21 mM; Need ultrasonic)|DMSO : 100 mg/mL (587.37 mM; Need ultrasonic)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1722) of reports.
Warning
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1722 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
유해성 정보
Regulatory Information
Chemical: Linalool oxide
Chemical: 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis-
Chemical: 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-
REACH registered substance: 2-(tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol (EC: 262-038-6)
Linalool oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute Tox. 4 (99.8%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- OI7782000
- ridadr
- UN 1760 8 / PGIII
- HS 번호
- 2932.19.5100
- risk_code
- 22-34
- hazard_code
- C
- safety_code
- 23-24/25-45-36/37/39-26
- 기존화학 물질
- KE-25416
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Household ProductsInformation on 5 consumer products that contain Linalool Dihydroepoxide in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Linalool oxide: ACTIVE
2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-: ACTIVE
응용 분야
일반 설명Linalool oxide is a monoterpenoid compound, commonly found in some species of the aromatic plants. It can be obtained from linalool either by oxidation or via biotransfomation using the fungus Aspergillus niger. It is always present as a mixture of both cis and trans forms.
상·하류 제품 정보
상류 원료
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