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파네솔

a Farnesol

HCID 3327
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인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
4602-84-0
표준 SMILES
CC(C)=CCCC(C)=CCCC(C)=CCO
InChIKey
CRDAMVZIKSXKFV-UHFFFAOYSA-N
분자식
C15H26O
평균 분자량
222.37 g/mol
단동위원소 질량
222.19836545

개요

(2E/Z,6E/Z)-farnesol has been reported in Aristolochia triangularis, Humulus lupulus, and other organisms with data available.

이름 및 식별자

우선 이름
a Farnesol
IUPAC
3,7,11-trimethyldodeca-2,6,10-trien-1-ol
현지명
파네솔
영어명
FARNESOL
분자식
C15H26O
분자량
222.37

이름 및 동의어

a farnesolRefChem:1075118Spectrum_001282trans,trans-Farnesol; trans-FarnesolSpecPlus_000549Spectrum2_001397Spectrum3_001070Spectrum4_001221SCHEMBL58069KBioGR_001682KBioSS_001762DivK1c_006645
이름 더 보기
파네솔파르네솔2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-3,7,11-TRIMETHYL-2,6,10-DODECATRIEN-1-OLFEMA 2478PolyprenolFarnesol 95%Farnesyl alcoholLINALOOL, DL-(SG)LINALOOL, (-)-(SG)3,7,11-TRIMETHYLDODECA-2,6,10-TRIEN-1-OL6,10-Dodecatrien-1-ol,3,7,11-trimethyl-2
SPBio_001414GTPL3215orb1299430orb3139646SCHEMBL2852929SCHEMBL9953423CHEMBL4464165KBio1_001589

데이터베이스 식별자

CAS
4602-84-0
PubChem CID
3327
DTXSID
DTXSID3032389
ChEMBL
CHEMBL4464165

물성

구조 계산 물성

XLogP
4.8
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
7
무거운 원자 수
16
형식 전하
0
복잡도
265

물리화학적 성질

녹는점
25 °C · 25°C
끓는 점
149 °C4 · 149 °C4 mm Hg(lit.)
밀도
0.886 g/mL · 0.886 g/mL at 20 °C(lit.)
증기압
13 Pa · 13Pa at 20℃
FEMA
2478 · 2478 | FARNESOL
굴절률
20 · n20/D 1.490(lit.)
인화점
205 °F · 205 °F
저장 조건
2 · 2-8°C
용해도
100 · DMSO:100.0(Max Conc. mg/mL);449.7(Max Conc. mM)
산도 계수 (pKa)
14.69 · 14.69±0.10(Predicted)
물리적 상태
액체
색상
무색투명~엷은 노란색
냄새
100 %에서 · 100.00%에서. 온화한 신선하고 달콤한 린든 꽃 안젤리카
냄새 유형
꽃향기
생물학적 소스
synthetic
수용성
물에 섞이거나 혼합하기 어렵지 않습니다.
Merck
14 · 14,3937
JECFA Number
1230 · 1230
BRN
1763926 · 1763926
Henry's Law Constant
3.9 · 3.9×10-2 mol/(m3Pa) at 25℃, HSDB (2015)

안전 및 규제

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
JR4979000
ridadr
UN 3082 9 / PGIII
HS 번호
29052200
hazard_code
Xi
safety_code
24/25-22
위험 등급
9
기존화학 물질
KE-34511
F 고인화성물질
8
위험 참고 사항
Irritant
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
4602-84-0(Hazardous Substances Data)

화학 및 산업

약리 정보

Metabolism/MetabolitesFarnesol has known human metabolites that include (2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)oxane-2-carboxylic acid.
응용 분야 · 4건

개요Farnesol has a characteristic flowery odor.

출처The presence of this terpene alcohol in nature has been reported in more than 30 essential oils; the levels are generally low (0.5 to 1.0%) with the exception of cabreuva, which contains up to 2 5% farensol, and the distillate from fowers of Oxystigma buccholtzii Harms which contains up to 18% farnesol Among the essential oils containing farnesol are lemongrass, Ceylon citronella, cananga, ambrette seeds, ylang-ylang, Acacia farnesiana, Peru balsam, palmarosa, tuberose, and others Reported found in apricot, citrus peel oils, grapefruit juice, strawberry jam, ginger, clove bud, hop oil, cardamom, ginger, thyme, beer, whiskey, basil, papaya, anise seed, German chamomile and Cympogon citratus oils

용도farnesol is described as a substance of high biological potential, capable of acting in the skin as a true bioactivator. A biological precursor and fatty alcohol, farnesol is one component of vitamin K. It is said to help smooth wrinkles, normalize sebum secretion, and increase the skin’s elasticity, tissue tension, and moisture-binding capability. It is able to penetrate the epidermis. In humans, farnesol is found in the skin and is involved in sterol biosynthesis. It is also used for its deodorant, odor-masking, and skin-soothing properties. In clinical studies, farnesol has demonstrated anti-microbial activity, though it is unclear if this remains the case once incorporated into a cosmetic formulation. It is widely present in vegetables and found in many essential oils (for example, acacia, lilac, lily of the valley, rose, orange blossom, oak moss, and sandalwood).

일반 설명Colorless liquid with a delicate floral odor.

제조 방법

One method uses cabreuva as the starting material (Swiss Patent 261,120-Givaudan and Co ), while a second method starts from ambrette seeds (German Patent 149, 603-Haarmann and Reimer).

관련 반응

67건
반응 기록 만들기
HRID 5628 반응식
HRID 5628반응물로uspto-grants-1993_09
HRID 5665 반응식
HRID 5665반응물로uspto-grants-1993_09
HRID 14362 반응식
HRID 14362반응물로uspto-grants-2010_06
HRID 63807 반응식
HRID 63807반응물로uspto-grants-2016_09
HRID 116661 반응식
HRID 116661반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 129031 반응식
HRID 129031반응물로uspto-grants-1995_11
HRID 129032 반응식
HRID 129032반응물로uspto-grants-1995_11
HRID 172711 반응식
HRID 172711생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
주요 응용
향료 및 향
화장품 원료 기능
향수탈취제
InChI
1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKey
CRDAMVZIKSXKFV-YFVJMOTDSA-N
SMILES
C/C(CC/C=C(C)/CCC=C(C)C)=C\CO
LogP
4.72 at · 4.72 at 22.3℃
NIST
2 · 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-(4602-84-0)
EPA
Farnesol (4602-84-0)
화학적 성질 · 1건

Farnesol is a component of many blossom oils. It is a colorless liquid with a linden blossom odor, which becomes more intense when evaporated. Of the four possible isomers (due to the double bonds in the 2- and 6-positions), the (2E,6E)-isomer is the most common in nature and occurs, forexample, in ambrette seed oil.(2Z,6E)-Farnesol [3790-71-4] has been identified in petitgrain oil bigarade. Synthetic farnesol is a mixture of isomers obtained by isomerization of nerolidol. Farnesol is particularly suited for use in flower compositions and is valued for its fixative and deodorizing properties.

상·하류 제품 정보

상류 원료

네롤리톨무수초산

하류 제품

(2E,6E)-3,7,11-트리메틸도데카-2,6,10-트리엔알

추가 설명

정의ChEBI: A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1.