옥타데센(1-)

1-Octadecene

HCID 8217CAS 112-88-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=CCCCCCCCCCCCCCCCC
InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N
분자식: C18H36
평균 분자량: 252.5 g/mol
단동위원소 질량: 252.28170115

개요

Octadec-1-ene is an octadecene with unsaturation at C-1.

이름 및 식별자

우선 이름: 1-Octadecene
IUPAC: octadec-1-ene
현지명: 옥타데센(1-)
영어명: 1-OCTADECENE
분자식: C18H36
분자량: 252.48

이름 및 동의어

1-OCTADECENE112-88-9Octadec-1-enealpha-OctadeceneDTXSID3026932H5ZUQ6V4AKNSC-66460DTXCID106932CHEBI:30824RefChem:6721204-012-9OCTADECENE

이름 더 보기

1-옥타데센옥타데센(1-)옥타데켄옥타데센1-n-옥타데센n-옥타데크-1-엔알파-옥타데센알파-옥타데실렌옥타데실렌-11-Octadecene, tech-95Dialen 181-Octadecane1-Octadecene, 90%, techNSC 664601 - oleicNeodene 18

.alpha.-OctadeceneOctadecene-1MFCD0000900327070-58-21-Octadecene, analytical standardalpha-octadecyleneOctadecylene alpha-UNII-H5ZUQ6V4AK

데이터베이스 식별자

CAS: 112-88-9、27070-58-2
PubChem CID: 8217
DTXSID: DTXSID3026932
ChEMBL: CHEMBL3187417
ChEBI: CHEBI:30824
UNII: H5ZUQ6V4AK
EC Number: 204-012-9、248-205-6
Nikkaji: J43.500G

물성

구조 계산 물성

XLogP: 10
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 15
무거운 원자 수: 18
형식 전하: 0
복잡도: 148

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.0000675 [mmHg]

Physical Description · 3건

Liquid

Melting point = 17.5 deg C; [ChemIDplus] Colorless liquid; mp = 18.3 deg C; [OECD SIDS: Higher Olefins - 2004]

물리화학적 성질

녹는점: 14 · 14-16 °C(lit.)
끓는 점: 179 °C15 · 179 °C15 mm Hg(lit.)
밀도: 0.789 g/mL · 0.789 g/mL at 25 °C(lit.)
증기 밀도: 0.71 · 0.71 (vs air)
증기압: 1.3 hPa · 1.3 hPa (20 °C)
굴절률: 20 · n20/D 1.444(lit.)
인화점: 300 °F · 300 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 액체
Specific Gravity: 0.789 · 0.789
색상: 무색~황색 투명
냄새: 약한 탄화수소 냄새
수용성: 알코올, 아세톤, 에테르와 섞입니다. 물과 섞이지 않습니다.
BRN: 1761067 · 1761067
주요 응용: 환경석유
InChI: 1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCC=C
LogP: 9.47 · 9.470 (est)
EPA: 1 · 1-Octadecene (112-88-9)

화학적 성질

CLEAR COLOURLESS TO AMBER LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3% (25 of 827) of reports.

Danger

H304 (97%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P301+P316, P331, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 827 reports by companies from 5 notifications to the ECHA C&L Inventory.

This chemical does not meet GHS hazard criteria for 2.8% (3 of 106) of reports.

유해성 정보

Regulatory Information · 6건

Chemical: 1-Octadecene

1-Octadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecene 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)

Octadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecene 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: 15-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2000

Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13253

1-Octadecene: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

In a skin irritation study of human volunteers, 16 of 18 subjects exhibited moderate to strong erythema, edema, and papules 30 minutes after application; At 24 hours, 17 had similar signs, with 9 of these showing effects that spread beyond the application site; Not a skin sensitizer in a study of 36 human volunteers; [IUCLID] May cause irritation; [Aldrich MSDS]

Hazard Classes and Categories · 2건

Asp. Tox. 1 (97%)

Asp. Tox. 1 (97.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
독성: LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
HS 번호: 29012990
risk_code: 65-66
hazard_code: Xn
safety_code: 23-24/25-62
기존화학 물질: KE-26436
자연 발화 온도: 482 °F
Hazard Classifications: Asp. Tox. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Uses · 2건

Used as an intermediate for lube oil additives, surfactants, and hydraulic fluids and additives; Also used in drilling fluids for off-shore oil exploration; [OECD SIDS: Higher Olefins - 2004]

Petroleum Production and Refining [Category: Industry]

U.S. Production · 2건

2023: 100,000,000 - <250,000,000 lb

2023: 55,000,000 - <70,000,000 lb

Consumer UsesSizing agent

Industry Uses · 2건

Intermediate

Other

General Manufacturing Information · 4건

Oil and Gas Drilling, Extraction, and Support activities

1-Octadecene: ACTIVE

Octadecene: ACTIVE

응용 분야

용도1-Octadecene is used for the preparation of alkene-terminated silicon alkyl monolayers, nanocrystals, nanoplatelets and quantum dots.

일반 설명The copolymerization of ethylene and 1-octadecene using a bridged metallocene has been studied. Monolayers of 1-octadecene were attached on a hydrogen-terminated (111) silicon surface via free-radical reaction.