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1,2-Epoxyhexadecane

HCID 23741
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
7320-37-8
표준 SMILES
CCCCCCCCCCCCCCC1CO1
InChIKey
DSZTYVZOIUIIGA-UHFFFAOYSA-N
분자식
C16H32O
평균 분자량
240.42 g/mol
단동위원소 질량
240.24531564

개요

1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)

이름 및 식별자

우선 이름
1,2-Epoxyhexadecane
IUPAC
2-tetradecyloxirane
영어명
1,2-EPOXYHEXADECANE
분자식
C16H32O
분자량
240.42

이름 및 동의어

1,2-EPOXYHEXADECANE7320-37-8Oxirane, tetradecyl-TetradecyloxiraneHexadecylene oxideHexadecene epoxideHexadecane, 1,2-epoxy-1,2-Hexadecane oxide1,2-Hexadecene epoxide1-hexadecene oxideNCI-C55538DTXSID9025245
이름 더 보기
tetradecyl-OxiraneUVR-6216hexadeceneepoxidehexadecyleneoxidetetradecyl-oxiran
VIKOLOX 161,2-epoxyhexadeceneDTXCID105245B11674G91KCYRACURE UVR 6216RefChem:72059230-786-22-Tetradecyloxirane

데이터베이스 식별자

CAS
7320-37-8
PubChem CID
23741
DTXSID
DTXSID9025245
ChEMBL
CHEMBL1606644
ChEBI
CHEBI:34054
UNII
B11674G91K
EC Number
230-786-2
Nikkaji
J36.959D

물성

구조 계산 물성보충 중

XLogP
7.3
극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
13
무거운 원자 수
17
형식 전하
0
복잡도
156

실험 및 물리화학적 성질

PolymersPlastics & Rubber -> Epoxides
Density0.849 at 68 °F (NTP, 1992) - Less dense than water; will float
SolubilityReaction (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point518 to 527 °F at 760 mmHg (NTP, 1992)
Melting Point77 to 81 °F (NTP, 1992)
Physical Description · 3건

1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)

Liquid

White solid or colorless liquid; Faint pleasant odor; [CAMEO] Liquid; [MSDSonline]

물리화학적 성질

녹는점
21 · 21-22 °C (lit.)
끓는 점
175 · 175-180 °C/12 mmHg (lit.)
밀도
0.846 g/mL · 0.846 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.446(lit.)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 600 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 4건

Chemical: Oxirane, tetradecyl-

Oxirane, 2-tetradecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-tetradecyl- 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)

REACH registered substance: Tetradecyloxirane (EC: 230-786-2)

Oxirane, tetradecyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Long-chain alkyl oxiranes: Human health tier II assessment
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Exposure to this compound may result in skin irritation which is characterized by localized lesions, redness, swelling and itching. Chronic symptoms include loss of body weight, gastric irritation and moderate liver damage. Prolonged inhalation may cause acute pulmonary edema or chemical pneumonia. It also causes sensitization.

Hazards Summary · 1건

화학 및 산업

약리 정보

Metabolism/Metabolites1-HEXADECENE IS METABOLIZED TO 1,2-DIHYDROXYHEXADECANE VIA 1,2-EPOXYHEXADECANE BY HEPATIC MICROSOMES.

용도 및 제조

Uses · 2건

Used as a chemical intermediate for surface-active agents, fabric softeners, cosmetic ingredients, textile finishes, and synthetic waxes; [HSDB]

CHEM INT FOR SURFACE-ACTIVE AGENTS, FABRIC SOFTENERS, COSMETIC INGREDIENTS, TEXTILE FINISHES, & SYNTHETIC WAXES

U.S. Exports · 2건

(1975) No Data

(1979) No Data

U.S. Imports · 2건

(1975) No Data

(1979) No Data

U.S. Production · 3건

2023: 1,000,000 - <8,500,000 lb

(1975) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1979) No Data

Industry UsesIntermediate
Methods of ManufacturingEPOXIDATION OF 1-HEXADECENE WITH PERACETIC ACID
General Manufacturing Information · 2건

Petroleum Lubricating Oil and Grease Manufacturing

Oxirane, 2-tetradecyl-: ACTIVE

응용 분야

일반 설명White waxy solid or clear colorless liquid. Faint pleasant odor.

상·하류 제품 정보

하류 제품

2-헥사데칸올

관련 반응

8건
반응 기록 만들기
HRID 34423 반응식
HRID 34423반응물로uspto-grants-1988_08
HRID 1111902 반응식
HRID 1111902반응물로uspto-grants-1978_10
HRID 1391123 반응식
HRID 1391123반응물로uspto-grants-1979_02
HRID 1906049 반응식
HRID 1906049반응물로uspto-grants-1987_03
HRID 2071887 반응식
HRID 2071887반응물로uspto-grants-1977_09
HRID 2083337 반응식
HRID 2083337반응물로uspto-grants-1978_04
HRID 2137435 반응식
HRID 2137435반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2397808 반응식
HRID 2397808반응물로uspto-grants-1977_05

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
인화점
93 °C · 93 °C
저장 조건
2 · 2-8°C
물리적 상태
powder to lump to clear liquid
색상
White or Colorless to Almost white or Almost colorless
Specific Gravity
0.846 · 0.846
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3
InChIKey
DSZTYVZOIUIIGA-UHFFFAOYSA-N
SMILES
O1CC1CCCCCCCCCCCCCC
LogP
6.76 at · 6.76 at 25℃
NIST
Oxirane, tetradecyl-(7320-37-8)
EPA
1 · 1,2-Epoxyhexadecane (7320-37-8)

A tumorigen, mutagen, and primary irritant; [RTECS] A skin irritant and sensitizer; May cause loss of body weight, gastric irritation, and moderate liver damage; After inhalation may cause acute pulmonary edema; [CAMEO] An irritant; May cause skin sensitization; [MSDSonline]

Reactive GroupEpoxides
Reactivity AlertsPolymerizable
Reactivity Profile · 1건

The neat compound, 1,2-EPOXYHEXADECANE, is sensitive to prolonged exposure to heat. It is also moisture sensitive. This material reacts with inorganic acids, thiosulfate, carboxylic acids, hydrogen cyanide, water, amines, aldehydes, alcohols, and caustics. It will also react with amino, hydroxyl and carboxyl groups. (NTP, 1992)

Air and Water ReactionsMoisture sensitive. Insoluble in water.
Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

Skin irritation - category 2

안전 및 보호

Fire FightingFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

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.
TSCA Test Submissions · 2건

Alpha-olefin epoxide C-16 was examined for mutagenic activity in Salmonella typhimurium tester strains TA98, TA100, TA1535, TA1537 and TA1538 with and without metabolic activation provided by Aroclor-induced rat liver S9 fraction. The test article was not mutagenic when administered by the plate incorporation method at five concentrations ranging from 0.1 to 10 mg/plate in the presence and absence of activation. Toxicity to cells was apparent at 10 mg/plate, both in the mutagenicity test and in a preliminary toxicity test.

The ability of tetradecyloxirane (TDO) to induce Sister Chromatid Exchange (SCE) in Chinese hamster ovary (CHO) cells was evaluated both in the presence and absence of Aroclor-induced rat liver S9 metabolic activation. Based on preliminary toxicity tests, TDO, diluted with ethanol, was tested at concentrations of 0, 0.015, 0.025 or 0.04 mg/ml without activation and at concentrations of 0, 0.1, 0.15 or 2.0 mg/ml with activation. Twenty-five cells were examined per dose level. None of the concentrations tested with activation induced a statistically significant increase in the frequency of SCE relative to controls. The highest dose-level of TDO tested without activation induced a statistically significant increase in the frequency of SCE relative to controls when the data of two runs were combined and compared to the solvent controls (0.05 > p > 0.01, transformation of values according to a published conversion method), although the data from the individual runs was not significantly different from controls (p > 0.05).

Non-Human Toxicity Excerpts · 2건

IN ICR/HA SWISS MICE BY DERMAL ROUTE @ 10 MG, 3 TIMES WEEKLY IN ACETONE FOR 427 DAYS; IT PRODUCED 2/41 PAPILLOMAS & 1/41 SQUAMOUS, CONSIDERED ACTIVE. /FROM TABLE/

1-HEXADECENE IS METABOLIZED TO 1,2-DIHYDROXYHEXADECANE VIA 1,2-EPOXYHEXADECANE, WHICH CAUSES MOUSE SKIN TUMORS.

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
ML9450000
HS 번호
2910.90.9100
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36/37
Hazard Classifications
Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
10 - Combustible liquids
유해 물질 데이터
7320-37-8(Hazardous Substances Data)