부틸로락톤

beta-BUTYROLACTONE

HCID 18303CAS 3068-88-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CC(=O)O1
InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N
분자식: C4H6O2
평균 분자량: 86.09 g/mol
단동위원소 질량: 86.03677943

개요

beta-Butyrolactone can cause cancer according to an independent committee of scientific and health experts.

이름 및 식별자

우선 이름: beta-BUTYROLACTONE
IUPAC: 4-methyloxetan-2-one
현지명: 부틸로락톤
영어명: BETA-BUTYROLACTONE
분자식: C4H6O2
분자량: 86.09

이름 및 동의어

beta-Butyrolactone3068-88-02-Oxetanone, 4-methyl-4-METHYL-2-OXETANONEHydroxybutyric acid lactoneDTXSID10202238BB68V31MTDTXCID50223RefChem:119217DL-BETA-BUTYROLACTONE221-330-3253-093-7

이름 더 보기

베타-뷰티로락톤부틸로락톤β-BUTYROLACTONE4-methyl-2-oxetanonb-Methyl-b-propiolactone3-BUTANOLIDE3-ButyrolactoneSS-BUTYROLACTONEbeta-Butyrolakton

4-Methyloxetan-2-one(+/-)-b-Butyrolactoneb-Butyrolactone.beta.-Butyrolactone36536-46-6beta-MethylpropiolactoneDL-.beta.-ButyrolactoneMFCD00005170

데이터베이스 식별자

CAS: 3068-88-0、36536-46-6
PubChem CID: 18303
DTXSID: DTXSID1020223
ChEMBL: CHEMBL1361205
ChEBI: CHEBI:82296
UNII: 8BB68V31MT
EC Number: 221-330-3、253-093-7
Nikkaji: J10.579A、J3.731.997J

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 77.6

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Lactones

Carcinogens

Density1.0555 at 68 °F (NTP, 1992) - Denser than water; will sink

Solubilitygreater than or equal to 100 mg/mL at 73 °F (NTP, 1992)

Flash Point140 °F (NTP, 1992)

Boiling Point160 to 163 °F at 29 mmHg (NTP, 1992)

Melting Point-46.3 °F (NTP, 1992)

물리화학적 성질

녹는점: 43.5 °C · −43.5 °C(lit.)
끓는 점: 71 · 71-73 °C29 mm Hg(lit.)
밀도: 1.056 g/mL · 1.056 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.411(lit.)
인화점: 140 °F · 140 °F
저장 조건: 2 · Storage temp. 2-8°C
색상: 무색 내지 거의 무색
수용성: 132.7 g/L · 132.7g/L(18℃)
안정성: 안정적인. 강염기, 강산화제와 호환되지 않습니다. 가연성.
주요 응용: 청소용품화장품향료 및 향음식 및 음료개인 위생 관리
InChI: InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
InChIKey: GSCLMSFRWBPUSK-UHFFFAOYSA-N
SMILES: O1C(C)CC1=O
EPA: .beta.-Butyrolactone (3068-88-0)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 4건

Chemical: 2-Oxetanone, 4-methyl-

Hazard Traits - Carcinogenicity

2-Oxetanone, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - 2-Oxetanone, 4-methyl-: Human health tier II assessment

DOT LabelFlammable Liquid

Fire HazardsThis chemical is combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes, mucous membranes and upper respiratory tract.

Hazards Summary · 1건

Highly flammable; A skin, eye, mucous membrane, and upper respiratory tract irritant; Harmful by ingestion, inhalation, and skin absorption; [CAMEO] A moderate skin irritant; [RTECS] A skin and strong eye irritant; Suspected carcinogen; [Sigma-Aldrich MSDS] See Butyrolactone.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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 you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

Carcinogen Classification · 5건

beta-Butyrolactone

Group 2B: Possibly carcinogenic to humans

Volume 11: (1976) Cadmium, Nickel, Some Epoxides, Miscellaneous Industrial Chemicals and General Considerations on Volatile Anaesthetics

1999

1998

RAIS Toxicity Values · 4건

0.00029

CALEPA

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: RQ8050000
ridadr: UN 1993 3/PG 3
HS 번호: 2932.20.5050
risk_code: 36/38-40
hazard_code: Xn
safety_code: 26-36
포장분류: III
위험 등급: 3.2
Hazard Classifications: Carc. 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Oxetanone, 4-methyl-: ACTIVE

응용 분야

용도β-Butyrolactone was used in the preparation of (3- O -[oligo-(3-hydroxybutyrate ester)] fluorescein, fluorescein derivative of poly(3-hydroxybutyrate) via anionic polymerization.

일반 설명Clear colorless liquid with an acetone-like odor.