홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

11-메틸도데칸올

Isotridecan-1-ol

HCID 33865
새 노트새 반응견적 요청하기
인쇄 미리보기

데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다

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

기본 정보

CAS
27458-92-0
표준 SMILES
CC(C)CCCCCCCCCCO
InChIKey
XUJLWPFSUCHPQL-UHFFFAOYSA-N
분자식
C13H28O
평균 분자량
200.36 g/mol
단동위원소 질량
200.21401551

이름 및 식별자

우선 이름
Isotridecan-1-ol
IUPAC
11-methyldodecan-1-ol
현지명
11-메틸도데칸올
영어명
11-methyldodecanol
분자식
C13H28O
분자량
200.36

이름 및 동의어

Isotridecan-1-olRefChem:15006811-MethyldodecanolIsotridecanol11-methyldodecan-1-olISOTRIDECYL ALCOHOL85763-57-127458-92-0Iso-Tridecyl-alcohol11-Methyl-1-dodecanolIsotridecanol-VX3T72M5SG
이름 더 보기
11-메틸도데칸올
Alcohols, C11-14-isoalcohols, C13-rich11-Methyl-1-dodecanol;1-Dodecanol, 11-methyl-FIXATEUR ITCEINECS 248-469-2UNII-VX3T72M5SGEINECS 288-581-9EC 248-469-2

데이터베이스 식별자

CAS
27458-92-0、68526-86-3、85763-57-1
PubChem CID
33865
DTXSID
DTXSID7058676
ChEBI
CHEBI:77438
UNII
VX3T72M5SG
EC Number
248-469-2、288-581-9
Nikkaji
J94.650H

물성

구조 계산 물성보충 중

XLogP
5.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
10
무거운 원자 수
14
형식 전하
0
복잡도
99

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점
86 · 86-88 °C(Press: 0.2 Torr)
밀도
0.831 · 0.831±0.06 g/cm3(Predicted)
저장 조건
Room Temperature, under inert atmosphere
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
15.2 · 15.20±0.10(Predicted)
물리적 상태
고체
색상
흰색에서 황백색까지
LogP
5.47 · 5.470 (est)

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 3.5% (178 of 5060) of reports.

Warning

H315 (87.6%): Causes skin irritation [Warning Skin corrosion/irritation];H400 (95.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (92.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5060 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 178 of 5060 reports by companies.;There are 14 notifications provided by 4882 of 5060 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 · 4건

Chemical: Isotridecanol

Isotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol 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: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154

Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (87.6%);Aquatic Acute 1 (95.3%);Aquatic Chronic 1 (92.1%)

규제 정보

화학 및 산업

용도 및 제조

U.S. Production2023: 5,000,000 - <10,000,000 lb;2022: 5,000,000 - <10,000,000 lb;2021: 5,000,000 - <10,000,000 lb;2020: 5,000,000 - <10,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesSurfactant (surface active agent);Lubricating agent;Intermediate
Household ProductsInformation on 2 consumer products that contain Isotridecanol in the following categories is provided:;• Inside the Home
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2건

Petrochemical Manufacturing;Wholesale and Retail Trade;Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Isotridecanol: ACTIVE

응용 분야

용도11-Methyldodecanol in one of the Me-substituted dedecanols tested for growth-inhibitory action against 5 virulent strains of human Mycobacterium tuberculosis.

상·하류 제품 정보

상류 원료

1-Dodecene, 11-methyl-2-메틸도덱-11-엔-2-올Octanal, 8-(phenylmethoxy)-이소아밀트리페닐브롬화포스포늄8-Benzyloxy-octan-1-ol

관련 반응

8건
반응 기록 만들기
HRID 726931 반응식
HRID 726931반응물로uspto-grants-1998_01
HRID 940155 반응식
HRID 940155반응물로Validation data from https://doi.org/10.1039/C8SC04228D
HRID 1249339 반응식
HRID 1249339반응물로uspto-grants-1986_12
HRID 1275690 반응식
HRID 1275690생성물로uspto-grants-2000_12
HRID 1359155 반응식
HRID 1359155반응물로uspto-grants-2003_07
HRID 1788772 반응식
HRID 1788772생성물로uspto-grants-1987_08
HRID 2127239 반응식
HRID 2127239반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2256421 반응식
HRID 2256421반응물로uspto-grants-1997_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
Regulatory Information · 4건

Chemical: Isotridecanol

Isotridecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isotridecanol 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: 30-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2154

Isotridecanol: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
Methyl 11-methyldodecanoate
10-Bromodecanol
Isopentylmagnesium bromide solution 2 in diethyl ether
옥탄다이올
1,2-부틸렌옥사이드
이소프로필브로마이드
이소아밀브로마이드
Methyl 10-undecenoate