기본 정보
- 표준 SMILES
CCCCCCCCCCCCC1CO1- InChIKey
IOHJQSFEAYDZGF-UHFFFAOYSA-N- 분자식
- C14H28O
- 평균 분자량
- 212.37 g/mol
- 단동위원소 질량
- 212.21401551
이름 및 식별자
- 우선 이름
- 1,2-Epoxytetradecane
- IUPAC
- 2-dodecyloxirane
- 현지명
- 테트라데켄-1-산화물
- 영어명
- 1,2-Epoxytetradecane
- 분자식
- C14H28O
- 분자량
- 212.37
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
3234-28-4- PubChem CID
- 18604
- DTXSID
DTXSID9025249- ChEMBL
CHEMBL1598368- EC Number
- 221-781-6
- Nikkaji
- J91.339A
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 133
실험 및 물리화학적 성질
Physical Description
1,2-epoxytetradecane is a clear colorless mobile liquid with an ether-like odor. (NTP, 1992)
Liquid
물리화학적 성질
- 녹는점
- 185 · 185-186 °C (decomp)
- 끓는 점
- 95 · 95-96 °C/0.4 mmHg (lit.)
- 밀도
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- 증기압
- 0.176 Pa · 0.176Pa at 25℃
- 굴절률
- 1.4408 · 1.4408
- 인화점
- 110 °C · >110°C
- 물리적 상태
- liquid
- Specific Gravity
- 0.845 · 0.845
- 수용성
- 130 μg/L · 130μg/L at 20℃
- BRN
- 107525 · 107525
- InChI
- InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h14H,2-13H2,1H3
- InChIKey
- IOHJQSFEAYDZGF-UHFFFAOYSA-N
- SMILES
- O1CC1CCCCCCCCCCCC
- LogP
- 5.77 at · 5.77 at 25℃
- EPA
- 1 · 1,2-Epoxytetradecane (3234-28-4)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.9% (5 of 175) of reports.
Warning
H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (26.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (24%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (70.3%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (70.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 175 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 5 of 175 reports by companies.;There are 9 notifications provided by 170 of 175 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Oxirane, dodecyl-
Oxirane, 2-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-dodecyl- 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: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11734
Oxirane, dodecyl-: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
1,2-EPOXYTETRADECANE, an epoxide, is incompatible with strong acids, caustics, and peroxides. (NTP, 1992). Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.
Hazard Classes and Categories
Skin Irrit. 2 (97.1%);Eye Irrit. 2 (26.9%);STOT SE 3 (24%);Aquatic Acute 1 (70.3%);Aquatic Chronic 1 (70.3%)
Skin irritation - category 2;Skin sensitisation - category 1
안전 및 보호
First Aid
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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol 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.;STORAGE PRECAUTIONS: You should store this material under freezer conditions. (NTP, 1992)
Personal Protective Equipment (PPE)
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)
규제 정보
Regulatory Information
Chemical: Oxirane, dodecyl-
Oxirane, 2-dodecyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxirane, 2-dodecyl- 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: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11734
Oxirane, dodecyl-: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 2910.90.9100
- risk_code
- 36/38-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 기존화학 물질
- KE-12993
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Skin Irrit. 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
Transportation Equipment Manufacturing
Oxirane, 2-dodecyl-: ACTIVE
응용 분야
용도1,2-Epoxytetradecane is used in the preparation of polymeric prodrugs used in treatments of cancer.
일반 설명Clear colorless mobile liquid with an ether-like odor.
상·하류 제품 정보
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