기본 정보
- CAS
27247-96-7- 표준 SMILES
CCCCC(CC)CO[N+](=O)[O-]- InChIKey
NKRVGWFEFKCZAP-UHFFFAOYSA-N- 분자식
- C8H17NO3
- 평균 분자량
- 175.23 g/mol
- 단동위원소 질량
- 175.1208434
이름 및 식별자
- 우선 이름
- 2-Ethylhexyl nitrate
- IUPAC
- 2-ethylhexyl nitrate
- 현지명
- 2-에틸헥실 질산염
- 영어명
- 2-Ethylhexyl nitrate
- 분자식
- C8H17NO3
- 분자량
- 175.23
이름 및 동의어
2-Ethylhexyl nitrate27247-96-7NITRIC ACID, 2-ETHYLHEXYL ESTEREthylhexyl nitrateDTXSID1027928R11MG529ITDTXCID307928RefChem:471998248-363-6682-688-82-Ethylhexylnitrate2-Ethyl-1-hexyl nitrate
이름 더 보기
2-에틸헥실질산염2-에틸헥실질산염(2-ETHYLHEXYLNITRATE)2-EHNnitronal2-ethylhexylester2-Ethylhexylniethylhexylnitrate2-EthylhexylnitratCetane number improver2-ETHYL-HEXYL-1-NITRATENitricacid,2-ethylhexylester
EINECS 248-363-6UNII-R11MG529ITEC 248-363-6MIAKRON 2000SCHEMBL151219CHEMBL401411HITEC 4348Tox21_303382
데이터베이스 식별자
- CAS
27247-96-7- PubChem CID
- 62823
- DTXSID
DTXSID1027928- ChEMBL
CHEMBL401411- UNII
- R11MG529IT
- EC Number
- 248-363-6、682-688-8
- Nikkaji
- J154.004A
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 55.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 122
실험 및 물리화학적 성질
Vapor Pressure0.03 [mmHg]
Physical Description
Liquid
Light yellow liquid with a pleasant odor; [CAMEO] Colorless liquid; [Sigma-Aldrich MSDS]
Kovats Retention Index1145；1145
물리화학적 성질
- 끓는 점
- 306.53 °C · 306.53°C (rough estimate)
- 밀도
- 0.963 g/mL · 0.963 g/mL at 25 °C(lit.)
- 증기압
- 27 Pa · 27Pa at 20℃
- 굴절률
- 20 · n20/D 1.432(lit.)
- 인화점
- 168 °F · 168 °F
- 냄새
- 과일향, 매운맛, 에스테르향, 특징
- 수용성
- 12.5 mg/L · 12.5mg/L at 20℃
- 안정성
- 안정성 가열하면 폭발할 수 있습니다. 가연성 물질과 접촉하면 화재나 폭발이 발생할 수 있습니다.
- InChI
- InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
- InChIKey
- NKRVGWFEFKCZAP-UHFFFAOYSA-N
- SMILES
- [N+]([O-])(=O)OCC(CC)CCCC
- LogP
- 5.24 at · 5.24 at 40℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (1 of 788) of reports.
Warning
H302+H312+H332 (19.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (94.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (99.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (99.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H400 (21.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (21.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (76.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 788 reports by companies from 17 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 788 reports by companies.；There are 16 notifications provided by 787 of 788 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
Chemical: Nitric acid, 2-ethylhexyl ester
Nitric acid, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nitric acid, 2-ethylhexyl ester 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: 13-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15498
화학 및 산업
용도 및 제조
UsesUsed in chemical manufacture; [CAMEO] Used as a diesel fuel additive and solvent; [REPROTOX] Used as an additive in diesel fuels to improve ignition and raise the cetane number; [EPA ChAMP: Submission]
U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 700,000 - <850,000 lb；2021: 10,000,000 - <25,000,000 lb；2020: 10,000,000 - <25,000,000 lb
Consumer UsesFuel agents
Industry UsesFuel agents
Household ProductsInformation on 6 consumer products that contain 2-Ethylhexyl nitrate in the following categories is provided:；• Auto Products
General Manufacturing Information
Petroleum Refineries；Petroleum Lubricating Oil and Grease Manufacturing
Nitric acid, 2-ethylhexyl ester: ACTIVE
응용 분야
용도2-Ethylhexyl nitrate (2-EHN) is a major fuel additive, has been used to increase the cetane number of diesel.
일반 설명Biodegradation of 2-ethylhexyl nitrate (2-EHN) by Mycobacterium austroafricanum IFP 2173 has been studied. Biodegradation of 2-EHN was studied in biphasic liquid cultures using an inert non-aqueous phase liquid such as 2,2,4,4,6,8,8-heptamethylnonane as solvent.
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