기본 정보
- CAS
638-65-3- 표준 SMILES
CCCCCCCCCCCCCCCCCC#N- InChIKey
RHSBIGNQEIPSCT-UHFFFAOYSA-N- 분자식
- C18H35N
- 평균 분자량
- 265.5 g/mol
- 단동위원소 질량
- 265.27695012
개요
Stearonitrile is a fatty nitrile obtained by formal condensation of stearic (octadecanoic) acid with ammonia. It has a role as a plant metabolite. It is functionally related to an octadecanoic acid.
이름 및 식별자
- 우선 이름
- Octadecanenitrile
- IUPAC
- octadecanenitrile
- 영어명
- STEARONITRILE
- 분자식
- C18H35N
- 분자량
- 265.48
이름 및 동의어
StearonitrileOctadecanenitrile638-65-3OCTADECANONITRILEHeptadecyl cyanide1-CyanoheptadecaneOktadekannitrilNitril kyseliny stearoveStearinsaeurenitrilOctadecanoic acid, nitrileDTXSID4027280QXY19Q5N5I
이름 더 보기
NSC5541NSC 5541StearicnitrileSTEARYL NITRILEOCTADECYLNITRILE
NSC-5541DTXCID507280CHEBI:133638RefChem:167602211-345-3MFCD00001947Oktadekannitril [Czech]Stearinsaeurenitril [German]
데이터베이스 식별자
- CAS
638-65-3- PubChem CID
- 12532
- DTXSID
DTXSID4027280- ChEMBL
CHEMBL1871991- ChEBI
CHEBI:133638- UNII
- QXY19Q5N5I
- EC Number
- 211-345-3
- Nikkaji
- J48.175K
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesBoiling point
Density0.8325 @ 20 °C/4 °C
SolubilityINSOL IN WATER; SOL IN ALCOHOL; VERY SOL IN ETHER, ACETONE & CHLOROFORM
Boiling Point362 °C @ 760 MM HG
Melting Point41 °C
Refractive IndexINDEX OF REFRACTION 1.438 @ 45 °C/D
Physical DescriptionSolid; [MSDSonline]
물리화학적 성질
- 녹는점
- 38 · 38-40 °C(lit.)
- 끓는 점
- 274 °C100 · 274 °C100 mm Hg(lit.)
- 밀도
- 0.818 g/mL · 0.818 g/mL at 25 °C(lit.)
- 굴절률
- 1.4389 · 1.4389
- 인화점
- 230 °F · >230 °F
안전 및 규제
GHS 분류
GHS Classification
Warning
H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: Stearonitrile (EC: 211-345-3)
Octadecanenitrile: 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 Summary
Emergency treatment: Isobutyronitrile; Isobutyronitrile releases cyanide after absorption into the body; Causes liver injury in animal studies; [HSDB] Intraperitoneal LD50 (mouse) > 10 gm/kg; [RTECS] Harmful by inhalation, skin absorption, and ingestion; May cause irritation; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
독성 정보
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- WI5500000
- ridadr
- 3276
- HS 번호
화학 및 산업
용도 및 제조
Uses
Used as chemical intermediate for fatty amines and derivatives; [HSDB]
CHEM INT FOR FATTY AMINES AND DERIVATIVES
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS
Methods of ManufacturingREACTION OF STEARIC ACID WITH AMMONIA IN LIQUID OR VAPOR PHASE IN THE PRESENCE OF A DEHYDRATION CATALYST, EG, ALUMINA
General Manufacturing Information
Octadecanenitrile: ACTIVE
N-OCTADECANENITRILE 1 MG/CAGE COMPETED SUCCESSFULLY WITH SINGLE CAGED VIRGIN FEMALE SPRUCE BUDWORM MOTHS, CHORISTONEURA FUMIFERANA, IN ATTRACTING MALE BUDWORM MOTHS, IN FIELD TESTS.
응용 분야
용도Stearonitrile was used to study the behaviour of dipalmitoylphosphatidylcholine mixed with stearonitrile at the air–water interface by surface pressure–area measurements and by direct visualisation of monolayers by Brewster angle microscopy. It was used to study the phase behaviour of stearic acid mixed with stearonitrile, in bulk and in a monolayer at the air–water interface.
일반 설명Stearonitrile undergoes W-6 Raney nickel catalyzed hydrogenation reaction. It forms inclusion complexes with urea.
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하류 제품
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