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1,2-エポキシヘキサデカン

1,2-Epoxyhexadecane

HCID 23741
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
7320-37-8
標準SMILES
CCCCCCCCCCCCCCC1CO1
InChIKey
DSZTYVZOIUIIGA-UHFFFAOYSA-N
分子式
C16H32O
平均分子量
240.42 g/mol
単同位体質量
240.24531564

概要

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

名称と識別子

優先名称
1,2-Epoxyhexadecane
IUPAC
2-tetradecyloxirane
現地名
1,2-エポキシヘキサデカン
英語名
1,2-EPOXYHEXADECANE
分子式
C16H32O
分子量
240.42

名称と別名

1,2-EPOXYHEXADECANE7320-37-8Oxirane, tetradecyl-TetradecyloxiraneHexadecylene oxideHexadecene epoxideHexadecane, 1,2-epoxy-1,2-Hexadecane oxide1,2-Hexadecene epoxide1-hexadecene oxideNCI-C55538DTXSID9025245
名称をさらに表示
1,2-エポキシヘキサデカンテトラデシルオキシラン2-(テトラデシル)オキシラン2-テトラデシルオキシラン1,2-ヘキサデシレンオキシドtetradecyl-OxiraneUVR-6216hexadeceneepoxidehexadecyleneoxidetetradecyl-oxiran
VIKOLOX 161,2-epoxyhexadeceneDTXCID105245B11674G91KCYRACURE UVR 6216RefChem:72059230-786-22-Tetradecyloxirane

データベース識別子

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

物性

構造計算による物性補完中

XLogP
7.3
極性表面積
12.5 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
13
重原子数
17
形式電荷
0
複雑度
156

実験および物理化学的性質

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 · 3 件

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]

物理化学的性質

融点
21 · 21-22 °C (lit.)
沸点
175 · 175-180 °C/12 mmHg (lit.)
比重(密度)
0.846 g/mL · 0.846 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.446(lit.)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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 · 1 件

化学と産業

薬理情報

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

用途と製造

Uses · 2 件

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 · 2 件

(1975) No Data

(1979) No Data

U.S. Imports · 2 件

(1975) No Data

(1979) No Data

U.S. Production · 3 件

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 · 2 件

Petroleum Lubricating Oil and Grease Manufacturing

Oxirane, 2-tetradecyl-: ACTIVE

応用分野

用途有機合成原料。

一般的な説明White waxy solid or clear colorless liquid. Faint pleasant odor.

上流・下流製品情報

下流製品

関連反応

8 件
反応記録を作成
HRID 34423 の反応式
HRID 34423反応物としてuspto-grants-1988_08
HRID 1111902 の反応式
HRID 1111902反応物としてuspto-grants-1978_10
HRID 1391123 の反応式
HRID 1391123反応物としてuspto-grants-1979_02
HRID 1906049 の反応式
HRID 1906049反応物としてuspto-grants-1987_03
HRID 2071887 の反応式
HRID 2071887反応物としてuspto-grants-1977_09
HRID 2083337 の反応式
HRID 2083337反応物としてuspto-grants-1978_04
HRID 2137435 の反応式
HRID 2137435反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2397808 の反応式
HRID 2397808反応物としてuspto-grants-1977_05

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
闪点
93 °C · 93 °C
貯蔵温度
2 · 2-8°C
外見
powder to lump to clear liquid
色
White or Colorless to Almost white or Almost colorless
比重
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℃
CAS データベース
7320 · 7320-37-8(CAS DataBase Reference)
NISTの化学物質情報
Oxirane, tetradecyl-(7320-37-8)
EPAの化学物質情報
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 · 1 件

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 · 2 件

Skin Irrit. 2 (100%)

Skin irritation - category 2

安全と保護具

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

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 · 1 件

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) · 1 件

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)

毒性情報

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 · 2 件

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 · 2 件

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.

安全データ

wgk
1
tsca
TSCA listed
rtecs
ML9450000
hs_code
2910.90.9100
risk_code
36/37/38
化審法
(2)-220
hazard_code
Xi
safety_code
26-36/37
Hazard Classifications
Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
10 - Combustible liquids
有毒物質データの
7320-37-8(Hazardous Substances Data)
2-ヘキサデカノール