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HCID 11530생성일: 2026년 10월 27일

Butyl chloroacetate

BUTYL CHLOROACETATE · BUTYL 2-CHLOROACETATE · N-BUTYL CHLOROACETATE · ButylChloroacetate>chloro-aceticacibutylester · BUTYL2-(METHYLTHIO)NICOTINATE · CHLOROACETIC ACID BUTYL ESTER · CHLOROACETIC ACID N-BUTYL ESTER · 2-chloroacetic acid butyl ester

https://huagongshe.com/ko/chemical/11530

Butyl chloroacetate 분자 구조식

식별자 및 물리적 특성

CAS No.590-02-3
분자식C6H11ClO2
평균 분자량150.6 g/mol
단동위원소 질량150.0447573 g/mol
SMILESCCCCOC(=O)CCl
InChIKeyYJRGMUWRPCPLNH-UHFFFAOYSA-N
PubChem CID11530
EC No.209-670-0
DTXSIDDTXSID5060437

화학 및 물리적 성질

XLogP1.8
극성 표면적26.3
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수5
무거운 원자 수9
형식 전하0
복잡도83
밀도1.0704 @ 20 °C/4 °C1,07 g/cm3
용해도INSOLUBLE IN WATERSOLUBLE IN ALCOHOL, ETHER
끓는 점183 °C72 °C
굴절률Index of refraction: 1.4297 @ 20 °C1.4280-1.4300
Physical DescriptionColorless liquid[MSDSonline]
Kovats Retention Index1007986996100010149941001.41032146614721500150815101534
Other Experimental PropertiesWEIGHT/VOLUME CONVERSION: 6.15 MG/CU M APPROX 1 PPM
물리적 상태투명한 액체
색상무색 내지 거의 무색
NISTChloroacetic acid butyl ester(590-02-3)
EPAAcetic acid, chloro-, butyl ester (590-02-3)

안전 및 규제

GHS 분류DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (95.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (95.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P262, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, 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.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 요약A 6-hour exposure to 2.8 gm/m3 was practically nontoxic for 6 rats[HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract[MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)Acute Tox. 3 (95.1%)Skin Irrit. 2 (100%)Eye Dam. 1 (95.1%)
처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
유해 작용Dermatotoxin - Skin burns.
TSCA Test SubmissionsN-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute oral toxicity in male and female Sprague-Dawley albino rats. The test substance was fed by oral gavage at dose levels of 251, 316, 398, and 501 mg/kg. The mortality ratios were 0/2 M, 0/3 F1/3 M, 1/2 F1/2 M, 2/3 Fand 3/3 M, 2/2 F, respectively. Toxic signs included reduced appetite and activity, rapidly increasing weakness, collapse, and death. Autopsy findings included hemorrhagic lungs and liver and acute gastrointestinal inflammation. The LD50 was determined to be 360 mg/kg.
N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute dermal toxicity in New Zealand white male and female rabbits at dose levels of 100, 200, 316, 501, and 1000 mg/kg. The mortality ratios were 0/1 F
1/1 M, 1/1 F
and 1/1 F, respectively. Toxic signs included reduced appetite and activity, rapidly increasing weakness, ocular discharge, collapse, and death. Autopsy findings included lung and liver hyperemia. The LD50 was determined to be greater than 200 mg/kg and less than 316 mg/kg.
N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for dermal irritation in three New Zealand white male and female rabbits at a dose level of 0.5 m/L applied undiluted to the intact skin. The test substance was a severe irritant with an average maximum score of 6.0 out of 8 in 24-hours. Observations following application included slight erythema and severe edema (24-hours) and no erythema or edema at 168-hours.
N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for eye irritation in three New Zealand white male and female rabbits at a dose level of 0.1 m/L. The test substance was classified as a mild eye irritation with an average maximum score of 16.6 out of 110 in 24-hours. Observations following application included moderate to severe erythema, including a diffuse, deep-crimson red appearance of the conjunctivae, with individual vessels not easily discernable
moderate edema
and moderate to copious discharge containing slight whitish exudate (24-hours). At 168-hours the eyes were normal with zero readings.
N-Butyl chloroacetatetyl ester (CAS# 590-02-3) was evaluated for acute inhalation toxicity in six male rats exposed for 6-hours at an average concentration of 2.8 g/m3. Observations during exposure included slight discomfort, but within 15-minutes the animals had normal reactions including no nasal or ocular discharge, no weakness or drowsiness, and normal respiration. Observations following exposure included normal respiration and no sign of toxic distress. All animals survived the 6-hour exposure. It was concluded that the vapors were practically non-toxic under conditions of the test.
TSCA 등재 상태TSCA listed
운송 번호(UN)3272
관세 코드2915400000
위험 문구(R)10-36/37/38-34
위험 표시C
안전 문구(S)16-26-36-45-36/37/39-23
위험 참고 사항Corrosive
유해 물질 데이터590-02-3(Hazardous Substances Data)