기본 정보
- CAS
112-91-4- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCC#N- InChIKey
UIAMCVSNZQYIQS-KTKRTIGZSA-N- 분자식
- C18H33N
- 평균 분자량
- 263.5 g/mol
- 단동위원소 질량
- 263.26130006
개요
Oleonitrile is a fatty nitrile obtained by formal condensation of oleic acid with ammonia. It has a role as a plant metabolite. It is a fatty nitrile and an olefinic compound. It is functionally related to an oleic acid.
이름 및 식별자
- 우선 이름
- (Z)-9-Octadecenenitrile
- IUPAC
- (Z)-octadec-9-enenitrile
- 현지명
- 올레오니트릴
- 영어명
- oleonitrile
- 분자식
- C18H33N
- 분자량
- 263.46
이름 및 동의어
Oleonitrile(Z)-octadec-9-enenitrile112-91-4OleoylnitrileOleylonitrileOleic acid nitrileOleic nitrile9-Octadecenenitrile, (9Z)-Oleyl nitrile(Z)-9-OCTADECENENITRILE9-Octadecenenitrile, (Z)-Olsaeurenitril
이름 더 보기
올레오니트릴9-Octadecenenitrile (1 mg/mL in Acetonitrile)
(9Z)-octadec-9-enenitrileOlsaeurenitril [German]HSDB 5580EINECS 204-016-0BRN 11020819-Octadecenoic acid (cis), nitrile (cis)cis-9-octadecenenitrile59F4912BUE
데이터베이스 식별자
- CAS
112-91-4- PubChem CID
- 6420241
- DTXSID
DTXSID3026934- ChEBI
CHEBI:133637- UNII
- 59F4912BUE
- EC Number
- 204-016-0
- Nikkaji
- J193.607G
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 233
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesOptical coefficient
Density0.848 @ 17 °C/17 °C
SolubilityINSOLUBLE IN WATER; SOLUBLE IN ALCOHOL
Melting Point-1 °C
Refractive IndexINDEX OF REFRACTION: 1.4566 @ 20 °C/D
Physical DescriptionLiquid; CBI
Other Experimental PropertiesDECOMPOSES AT 330-335 °C
물리화학적 성질
- 녹는점
- -1 °C · -1°C
- 끓는 점
- 401.7 °C · 401.7°C (estimate)
- 밀도
- 0.847 · 0.8470
- 증기압
- 1.8 Pa · 1.8Pa at 20℃
- 굴절률
- 1.4566 · 1.4566
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색~담황색
- 안정성
- 감광성
- LogP
- 5.08 at · 5.08 at 21℃
- EPA
- 9 · 9-Octadecenenitrile, (9Z)- (112-91-4)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 37 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
9-Octadecenenitrile, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenenitrile, (9Z)- 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: 25-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14514
9-Octadecenenitrile, (9Z)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummarySee NITRILES.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
독성 정보
Adverse EffectsOther Poison - Chemical Asphyxiant
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 orl-rat: >10 g/kg ZAARAM 19,225,1969
- 유해 물질 데이터
- 112-91-4(Hazardous Substances Data)
화학 및 산업
용도 및 제조
Uses
Used as a plasticizer for nitrile-butadiene rubbers and intermediate for amines and derivatives; [HSDB]
PLASTICIZER OR SOFTENER FOR NITRILE-BUTADIENE RUBBERS
CHEM INT FOR AMINES AND DERIVATIVES
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
2023: 1,000,000 - <8,500,000 lb
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1980) PROBABLY GREATER THAN 4.54X10+6 GRAMS
Industry UsesCBI
Methods of ManufacturingREACTION OF OLEIC ACID WITH AMMONIA IN LIQUID OR VAPOR PHASE IN THE PRESENCE OF A DEHYDRATION CATALYST, EG, ALUMINA
General Manufacturing Information
CBI
9-Octadecenenitrile, (9Z)-: ACTIVE
응용 분야
용도9-Octadecenenitrile is used in the production of biofuel and biochar by thermal pyrolysis of linseed seed. It is also used as a fatty nitrile solvent for agricultural formulations.
공급사15 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
BOC Sciences[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
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