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CIS-네롤리돌

Nerolidol

HCID 5284507
새 노트새 반응견적 요청하기인쇄 미리보기

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
142-50-7
표준 SMILES
C=CC(C)(O)CC/C=C(\C)CCC=C(C)C
InChIKey
FQTLCLSUCSAZDY-SDNWHVSQSA-N
분자식
C15H26O
평균 분자량
222.37 g/mol
단동위원소 질량
222.19836545

이름 및 식별자

우선 이름
Nerolidol
IUPAC
(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
현지명
CIS-네롤리돌
영어명
CIS-NEROLIDOL
분자식
C15H26O
분자량
222.37

이름 및 동의어

NEROLIDOL7212-44-4(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol3,7,11-Trimethyl-1,6,10-dodecatrien-3-olStirrupFEMA No. 27723-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatrieneCHEBI:7524DTXCID602247QR6IP857S6(Z)-NerolidolDTXSID3022247
이름 더 보기
CIS-네롤리돌MelaleucolPeruviolD-nerolidol(+)-nerolidolCIS-NEROLIDOLNEROLIDOL, CIS-(S)-cis-nerolidol(+)-cis-Nerolidol3,7,11-Trimethy-1,6,10-dodecatrien-3-ol
nerodilolFCI-119BRefChem:832382205-540-2230-597-589V5Z0JC8Jtrans-Nerolidol40716-66-3

데이터베이스 식별자

CAS
142-50-7、40716-66-3、7212-44-4
PubChem CID
5284507
DTXSID
DTXSID2040783
ChEMBL
CHEMBL25424
ChEBI
CHEBI:7524
UNII
FG5V0N8P2H
EC Number
205-540-2、230-597-5、255-053-4
Nikkaji
J26.204H、J8.909E

물성

구조 계산 물성보충 중

XLogP
4.6
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
269

실험 및 물리화학적 성질

Density0.872-0.879
Solubility · 2건

Soluble in most fixed oils and propylene glycol; slightly soluble in water; insoluble in glycerol

Soluble (in ethanol)

Boiling Point275-277 °C
Refractive Index1.478-1.483
Physical Description · 2건

Liquid

Colourless or very pale straw-coloured oily liquid; Faint woody-floral, slightly rose apple aroma

Kovats Retention Index · 6건

1548;1555;1556;1560;1547;1541;1546;1547;1535;1556;1547;1591;1540;1555;1565;1579;1547;1553;1549;1536

1563;1565;1569;1564;1574;1569;1564;1562;1561;1563;1575;1565;1565;1564;1563;1553;1561;1564;1563;1563

2041;2051;2035;2053;2033;2043;2033;2029;2006;2038;2017;1991;2046;2039;2054;2028;2037;2026;2013;2020

1545;1547;1538;1554;1575;1541;1566;1548;1551;1545;1546;1544;1553;1562;1563;1539;1539;1555;1555;1550

1565;1564;1583;1583;1559;1539;1563;1571;1565.6;1568;1550;1567.7;1568.9;1572.5;1562;1568;1574;1565;1573;1562

2050;2052;2046;2050;2012;2045;2039;2037;2024;2033;2031;2057;1991;1991;2003;2003;2056;2041;2044;2034

물리화학적 성질

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2148) of reports.

Warning

H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (87.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (34.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (99.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2148 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2148 reports by companies.;There are 20 notifications provided by 2147 of 2148 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 6건

Chemical: 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- 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)

Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1931

Status: Active Update: 02-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30343

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)-: Does not have an individual approval but may be used under an appropriate group standard

화학 및 산업

용도 및 제조

U.S. Production2022: 16,020 lb;2021: 17,700 lb;2020: 25,373 lb
Consumer UsesFragrance
Industry UsesFragrance
Household Products · 2건

Information on 1 consumer products that contain Nerolidol in the following categories is provided:;• Personal Care

Information on 3 consumer products that contain Nerolidol Isomers in the following categories is provided:;• Inside the Home

Use Classification · 5건

Fragrance Ingredients

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-: ACTIVE

공급사

불러오는 중…

공개 문의

불러오는 중…

관련 반응

3건
반응 기록 만들기
HRID 436884 반응식
HRID 436884생성물로uspto-grants-1977_06
HRID 2419267 반응식
HRID 2419267생성물로uspto-grants-1978_08
HRID 2419268 반응식
HRID 2419268생성물로uspto-grants-1978_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
끓는 점
70 °C0.1 · 70 °C0.1 mm Hg(lit.)
밀도
0.876 g/mL · 0.876 g/mL at 20 °C(lit.)
굴절률
20 · n20/D 1.478(lit.)
인화점
96 °C · 96 °C
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
20 °C에서 · 무색 오일; d = 20°C에서 0.88g/mL
산도 계수 (pKa)
14.4 · 14.40±0.29(Predicted)
냄새
온화한 꽃
화장품 원료 기능
향기변성제향수향료
LogP
5.32 · 5.32
EPA
(Z)-Nerolidol (142-50-7)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories · 3건

Skin Irrit. 2 (11.7%);Eye Irrit. 2 (24.6%);STOT SE 3 (11.7%);Aquatic Acute 1 (77.2%);Aquatic Chronic 1 (88.3%)

Skin Irrit. 2 (21.3%);Eye Irrit. 2 (51.1%);STOT SE 3 (21.3%);Aquatic Acute 1 (59.6%);Aquatic Chronic 1 (78.7%)

Skin Sens. 1B (11.1%);Eye Irrit. 2 (87.4%);Aquatic Acute 1 (34.2%);Aquatic Chronic 1 (99.9%)

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

규제 정보

Regulatory Information · 6건

Chemical: 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- 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)

Status: Active Update: 18-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/1931

Status: Active Update: 02-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30343

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (6E)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36