1,2-エポキシヘキサデカン

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 · Oxirane, tetradecyl- · tetradecyl-Oxirane · 2-Tetradecyloxirane

https://huagongshe.com/ja/chemical/23741

識別子と物理属性

CAS No.	7320-37-8
分子式	C16H32O
平均分子量	240.42 g/mol
単同位体質量	240.24531564 g/mol
SMILES	CCCCCCCCCCCCCCC1CO1
InChIKey	DSZTYVZOIUIIGA-UHFFFAOYSA-N
PubChem CID	23741
ChEMBL	CHEMBL1606644
ChEBI	CHEBI:34054
EC No.	230-786-2
DTXSID	DTXSID9025245
現地名	1,2-エポキシヘキサデカン

化学・物理的性質

XLogP	7.3
極性表面積	12.5
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
Polymers	Plastics & Rubber -> Epoxides
密度	0.849 at 68 °F (NTP, 1992) - Less dense than waterwill float0.846 g/mL at 25 °C (lit.)
溶解度	Reaction (NTP, 1992)
Endocrine Disruptors	Potential endocrine disrupting compound
沸点	518 to 527 °F at 760 mmHg (NTP, 1992)175-180 °C/12 mmHg (lit.)
融点	77 to 81 °F (NTP, 1992)21-22 °C (lit.)
Physical Description	1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)White solid or colorless liquidFaint pleasant odor[CAMEO] Liquid[MSDSonline]
屈折率	n20/D 1.446(lit.)
引火点	93 °C
貯蔵条件	2-8°C
外観・状態	powder to lump to clear liquid
色	White or Colorless to Almost white or Almost colorless
比重	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（分配係数）	6.76 at 25℃
CAS データベース	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	1,2-Epoxyhexadecane (7320-37-8)

安全性と法規制

Reactivity Profile
GHS 分類	WarningH315 (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.H315: Causes skin irritation [Warning Skin corrosion/irritation]
規制情報	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)Status: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11256Oxirane, tetradecyl-: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	IMAP assessments - Long-chain alkyl oxiranes: Human health tier II assessment
火災危険	Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
健康有害性	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.
有害性の概要	A tumorigen, mutagen, and primary irritant[RTECS] A skin irritant and sensitizerMay cause loss of body weight, gastric irritation, and moderate liver damageAfter inhalation may cause acute pulmonary edema[CAMEO] An irritantMay cause skin sensitization[MSDSonline]
反応性グループ	Epoxides
Reactivity Alerts	Polymerizable

用途

有機合成原料。

一般的な説明

White waxy solid or clear colorless liquid. Faint pleasant odor.