1-Chloro-2-propanol

HCID 31370CAS 127-00-4

기본 정보

표준 SMILES
CC(O)CCl
InChIKey
YYTSGNJTASLUOY-UHFFFAOYSA-N
분자식
C3H7ClO
평균 분자량
94.54 g/mol
단동위원소 질량
94.01854252

개요

1-chloro-2-propanol is a clear colorless to light amber liquid with a mild non residual odor. (NTP, 1992)

이름 및 식별자

우선 이름
1-Chloro-2-propanol
IUPAC
1-chloropropan-2-ol
현지명
1-클로로-2-프로탄올
영어명
1-Chloro-2-propanol
분자식
C3H7ClO
분자량
94.54

이름 및 동의어

1-Chloro-2-propanol1-Chloropropan-2-ol127-00-4Chloroisopropyl alcohol2-PROPANOL, 1-CHLORO-Propene chlorohydrin1-Chloroisopropyl alcoholsec-Propylene chlorohydrin1-Chloro-2-hydroxypropaneZL0FUS96WWNSC-77373DTXSID5020285
이름 더 보기
1-클로로-2-프로탄올1-클로로-2-프로판올2-프로판올, 1-클로로-PROPYLENE CHLOROHYDRINCHLOROPROPANOLPROPYLENE CHLOROHYDRINEChloro-2-propa1-CHLOROPROPANOLMONOCHLORPROPANOL1-chloro-2-propanoCHLOROHYDROXYPROPANE
CHEBI:76260alpha-Propylene chlorohydrinRefChem:75367DTXCID30285204-819-63-chloro-2-propanol.alpha.-Propylene chlorohydrinNSC 77373

데이터베이스 식별자

CAS
127-00-4、68081-94-7、68187-16-6、68187-18-8、68187-19-9
PubChem CID
31370
DTXSID
DTXSID5020285
ChEMBL
CHEMBL1361129
ChEBI
CHEBI:76260
UNII
ZL0FUS96WW
EC Number
204-819-6
Nikkaji
J2.936J

물성

구조 계산 물성

XLogP
0.6
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Halogenated Alcohols

Mutagens

Density · 2건

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

1.115 @ 20 °C

Color/FormCOLORLESS LIQUID
Solubility · 3건

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

SOL IN WATER, ALC

SOL IN ETHANOL, ETHER, CARBON TETRACHLORIDE

Flash Point · 2건

125 °F (NTP, 1992)

125 °F

Boiling Point · 2건

259 to 261 °F at 760 mmHg (NTP, 1992)

126-127 °C

물리화학적 성질

끓는 점
126 · 126-127 °C(lit.)
밀도
1.111 g/mL · 1.111 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.439(lit.)
인화점
125 °F · 125 °F
저장 조건
Flammables area
수용성
물에 용해됨

화학적 성질

colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

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

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 173 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Chemical: 2-Propanol, 1-chloro-

2-Propanol, 1-chloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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.)

DOT LabelPoison Flammable Liquid
Fire HazardsThis chemical is combustible. (NTP, 1992)
Fire PotentialMODERATE, WHEN EXPOSED TO HEAT OR FLAME.
Health Hazards · 1건

SYMPTOMS: This compound causes skin and eye irritation. It may also be irritating to the mucous membranes and upper respiratory tract. Other symptoms include nasal irritation, nausea, vomiting, giddiness, dizziness, incoordination, visual disturbances and coma. It may also cause hemolysis, central nervous system effects and liver and kidney damage. Coughing, confusion and unconsciousness have also been reported.

Hazards Summary · 1건

Causes damage to the liver and other organs in animal feeding studies; Critical Effects: reproductive; genotoxic; [ACGIH] No adverse effects on fertility in a chronic feeding study of rats; Increased testis weights and sperm abnormalities--possible evidence of slight reproductive toxicity; [NTP] General anesthetic effect in lethal dose feeding studies of guinea pigs; [RTECS] An irritant of the skin, eyes, and respiratory tract; [CAMEO] See 2-Chloro-1-propanol.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (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.

Fire Fighting ProceduresALC FOAM, SPRAY, MIST, DRY CHEM.
Storage ConditionsSHOULD BE STORED IN COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, &...PERIODICALLY INSPECTED & MONITORED. INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
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.

Disposal Methods · 1건

SRP: 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.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a structure estimation method(2), indicates that 1-chloro-2-propanol is expected to have very high mobility in soil(SRC). Volatilization of 1-chloro-2-propanol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.7X10-6 atm-cu m/mole(SRC), obtained using a fragment constant estimation method(3). The potential for volatilization of 1-chloro-2-propanol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 4.9 mm Hg(4). The importance of biodegradation of 1-chloro-2-propanol in soil is unknown(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2(SRC), determined from a structure estimation method(2), indicates that 1-chloro-2-propanol is not expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.7X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 150 days and 3 years, respectively(SRC), using an estimation method(3). According to a classification scheme(5), an estimated BCF of 3(3,SRC), from an estimated log Kow(6,SRC), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A neutral first-order hydrolysis rate constant of 1.1X10-8 1/s for 1-chloro-2-propanol corresponds to a half-life of 2 years a pH 7(7), the half-life for hydrolysis at pH 8 is expected to be approximately 1 month by analogy to 1,3-dichloro-2-propanol(SRC). The importance of biodegradation of 1-chloro-2-propanol in water is unknown(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-chloro-2-propanol, which has a vapor pressure of 4.9 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-chloro-2-propanol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 days(SRC) from its estimated rate constant of 3.19X10-12 cu cm/molecule-sec at 25 °C(3).

Food Survey Values · 1건

1-chloro-2-propanol was qualitatively detected as a volatile component of meat(1). 1-Chloro-2-propanol may be formed in foods (e.g., flour, pepper, cocoa, walnut meat, tapioca starch, glazed cherries, glazed citron, and dehydrated potato granules) fumigated with propylene oxide(2).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Ongoing Test Status · 1건

The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=127-00-4]

Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-chloro-2-propanol can be estimated to be about 2(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-chloro-2-propanol is expected to have very high mobility in soil.

Artificial Pollution Sources1-Chloro-2-propanol's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
UA8942000
ridadr
UN 2611
HS 번호
29055900
risk_code
10-20-36/37/38

화학 및 산업

약리 정보

Absorption, Distribution and ExcretionPropylene chlorohydrin is absorbed, widely distributed, and rapidly metabolized and eliminated.

용도 및 제조

Uses · 3건

Used as a chemical intermediate; A residue in foods that have been fumigated or cold sterilized with propylene oxide; [ACGIH]

Chemical intermediate

CHEM INT FOR PROPYLENE OXIDE & OTHER ORG COMPDS

U.S. Imports(1976) 1.76X10+5 G (INCL 2-CHLORO-1-PROPANOL)
Consumption PatternsESSENTIALLY 100% AS CHEMICAL INTERMEDIATE
Methods of ManufacturingACID-CATALYZED REACTION OF ALLYL CHLORIDE WITH WATER; CHLOROHYDRINATION OF PROPYLENE (PRODUCING THE 2-CHLORO-1-PROPANOL ISOMER ALSO)
General Manufacturing Information2-Propanol, 1-chloro-: ACTIVE
응용 분야 · 2건

용도1-Chloro-2-propanol has been used as:chemical intermediate for the manufacture of propylene oxide, a starting material for production of polyurethane polyols and propylene glycolas α,β-halohydrin standard during the enzymatic synthesis of α,β-halohydrins from gaseous alkenes

일반 설명Clear colorless to light amber liquid with a mild non residual odor.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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