기본 정보
- CAS
126-91-0- 표준 SMILES
C=C[C@](C)(O)CCC=C(C)C- InChIKey
CDOSHBSSFJOMGT-JTQLQIEISA-N- 분자식
- C10H18O
- 평균 분자량
- 154.25 g/mol
- 단동위원소 질량
- 154.13576519
개요
(R)-linalool is the (R)-enantiomer of linalool. It is an enantiomer of a (S)-linalool.
이름 및 식별자
- 우선 이름
- (-)-Linalool
- IUPAC
- (3R)-3,7-dimethylocta-1,6-dien-3-ol
- 영어명
- (-)-LINALOOL
- 분자식
- C10H18O
- 분자량
- 154.25
이름 및 동의어
(-)-Linalool126-91-0(3R)-Linalool(R)-(-)-Linalool3R,7-dimethylocta-1,6-dien-3-olDTXSID40872607RefChem:1049115DTXCID40820244L-Linalool(R)-3,7-dimethylocta-1,6-dien-3-ol(3R)-3,7-dimethylocta-1,6-dien-3-ol1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-
이름 더 보기
coriandrolAgarolLicareolcoriaudrolI-Linaloolp-linaloolHO-WOOD OILDL-LINALOOL
(R)-linaloolLINALOOL (+)laevo-linalool(R)-3,7-Dimethyl-1,6-octadien-3-olLinalool, (-)-MFCD00135469(3R)-3,7-dimethyl-1,6-octadien-3-ol3U21E3V8I2
데이터베이스 식별자
- CAS
126-91-0- PubChem CID
- 443158
- DTXSID
DTXSID40872607- ChEMBL
CHEMBL2288244、CHEMBL235672- ChEBI
CHEBI:28- UNII
- 3U21E3V8I2
- EC Number
- 204-811-2
- Nikkaji
- J9.271A
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 154
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (l-Linalool) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 198 °C · 198 °C(lit.)
- 밀도
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- 증기압
- 0.17 mm · 0.17 mm Hg ( 25 °C)
- 굴절률
- 20 · n20/D 1.462(lit.)
- 인화점
- 174 °F · 174 °F
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 산도 계수 (pKa)
- 14.51 · 14.51±0.29(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색~담황색 투명
- 냄새
- 100 %에서 · 100.00%에서. 프레쉬 플로럴 우디 내추럴 딥 라벤더
- 냄새 유형
- 꽃향기
- BRN
- 1721487 · 1721487
- 화장품 원료 기능
- 향수
안전 및 규제
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H315 (58.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1,6-Octadien-3-ol, 3,7-dimethyl-, (R)-
REACH registered substance: (R)-3,7-dimethyl-1,6-octadien-3-ol (EC: 204-811-2)
Other Safety InformationIMAP assessments - Linalool: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (58.6%)
Skin irritation - category 2
Skin Sens. 1B
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RG5800000
- ridadr
- UN 1760 8/PG 2
- 독성
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01477,
- HS 번호
- 29052230
- risk_code
- 36/37/38-34
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-36-36/37
- 기존화학 물질
- KE-11598
화학 및 산업
용도 및 제조
IFRA Fragrance Standards
Linalool
78-70-6 (Linalool):; 1,6-Octadien-3-ol, 3,7-dimethyl-; 2,6-Dimethyl-2,7-octadien-6-ol; 2,7-Octadien-6-ol, 2,6-dimethyl-; 3,7-Dimethyl-1,6-octadien-3-ol; 3,7-Dimethylocta-1,6-dien-3-ol; Coriandrol; Licareol; Linalyl alcohol; 126-90-9 (d-Linalool):; (S)-3,7-Dimethyl-1,6-octadien-3-ol; 1,6-Octadien-3-ol, 3,7-dimethyl-, (S)-; 126-91-0 (l-Linalool):; (R)-3,7-Dimethyl-1,6-octadien-3-ol; 1,6-Octadien-3-ol, 3,7-dimethyl-, (R)-
IFRA_STD_187.pdf
38
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Specification: This material should be used only if it meets the criteria stated in the Standard
Use ClassificationFragrance Ingredients
General Manufacturing Information1,6-Octadien-3-ol, 3,7-dimethyl-, (3R)-: ACTIVE
응용 분야
용도(-)-Linalool can be used as a reactant in: The enantioselective preparation of ophiobolin sesterterpene via diastereoselective reductive radical cascade cyclization. The total synthesis of (-)-5,6-dihydrocineromycin B via (-)-linalool O-triethylsilyl ether.; The total synthesis of pladienolide B analog.
일반 설명L-Linalool is the key volatile compound of jasmine tea, spruce essential oil and young leaves of Litchi chinensis Sonn.
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