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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 5977作成日：2026年10月27日

トリクロロ-2-メチル-2-プロパノール

トリクロロ-2-メチル-2-プロパノール · Einecs 249-042-3 · Trichloro-2-methyl-2-propanol · trichloro-2-methylpropan-2-ol · 2-Propanol, trichloro-2-methyl-

https://huagongshe.com/ja/chemical/5977

トリクロロ-2-メチル-2-プロパノール の分子構造式

識別子と物理属性

CAS No.1320-66-7
分子式C4H7Cl3O
平均分子量177.45 g/mol
単同位体質量175.95624788 g/mol
SMILESCC(C)(O)C(Cl)(Cl)Cl
InChIKeyOSASVXMJTNOKOY-UHFFFAOYSA-N
PubChem CID5977
ChEMBLCHEMBL1439973
ChEBICHEBI:134813
EC No.200-317-6
DTXSIDDTXSID1041217
現地名トリクロロ-2-メチル-2-プロパノール

化学・物理的性質

XLogP2
極性表面積20.2
水素結合供与体数1
水素結合受容体数1
回転可能結合数0
重原子数8
形式電荷0
複雑度83.8
物質分類Other Classes -> Halogenated Alcohols
医薬品DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Listed in ZINC15
化粧品Preservative
LogP（分配係数）log Kow= 2.03
臭いCamphor odorCharacteristic odor
味Camphor tasteCharacteristic taste
Color/FormNEEDLES (WATER+1)CrystalsCOLORLESS TO WHITEColorless to white crystals
溶解度INSOL IN COLD WATER, SOL IN HOT WATER1 G IN 125 ML WATERSOL IN VOLATILE OILSEasily sol in hot waterone gram dissolves in 1 ml alcohol, 10 ml glycerolsol in chloroform, ether, acetone, petr ether, glacial acetic acid, oils.Soluble in alcohol and glycerol, hot water, ether, chloroform, and volatile oils.For more Solubility (Complete) data for CHLORETONE (6 total), please visit the HSDB record page.
Animal DrugsActive Ingredients (Chlorobutanol) -> FDA Greenbook
沸点167 °C
DecompositionWhen heated to decomposition it emits toxic fumes of /hydrogen chloride/.
融点97 °CMP: 77 °C (HYDRATE)HYGROSCOPICMP: 97 °C /anhydrous form/MP: 78 °C /hemihydrate/
EPAの化学物質情報2-Propanol, trichloro-2-methyl- (28471-22-9)

安全性と法規制

GHS 分類This chemical does not meet GHS hazard criteria for 1.5% (1 of 67) of reports.WarningH302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報Chemical: 2-Propanol, 1,1,1-trichloro-2-methyl-Status: Active Update: 24-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/256312-Propanol, 1,1,1-trichloro-2-methyl-hydrate: 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 - 2-Propanol, 1,1,1-trichloro-2-methyl-: Human health tier I assessment
火災の可能性COMBUSTIBLE WHEN EXPOSED TO HEAT OR FLAME.
有害性の概要A skin and eye irritant0.4% solution caused keratitis in rabbit eyes following continuous bathingEmergency treatment is for chloral hydrate and related agents. [HSDB]See Chlorobutanol.
FDA 要件Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended21 U.S.C. 321-392).Chloretone is a chemical derivative of chloral, named in section 502(d) of the Federal Food, Drug, and Cosmetic Act and is hereby designated as habit forming.
Hazard Classes and CategoriesAcute Tox. 4 (94%)Acute Tox. 4 (100%)
Skin, Eye, and Respiratory IrritationsA skin and eye irritant.
保管条件IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED ... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.
処分方法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.
Preventive MeasuresSRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
有害作用Neurotoxin - Acute solvent syndrome
Human Toxicity Excerpts...SOLN CONTAINING...0.4% CHLOROBUTANOL...UNDER CONTACT LENS...LEFT ON EYE FOR SEVERAL MIN...UNCOMFORTABLE KERATITIS EPITHELIALIS HAS RESULTED, WITH FOGGING OF VISION, HALOES AROUND LIGHTS, & FOREIGN-BODY TYPE OF DISCOMFORT BEGINNING WITHIN HR & BECOMING WORSE...EYES HAVE RECOVERED SPONTANEOUSLY & COMPLETELY IN DAY OR TWO.This substance may be habit forming ...
Non-Human Toxicity ExcerptsEXPT ON EXCISED ANIMAL CORNEAS HAVE SHOWN THAT CHLOROBUTANOL INHIBITS OXYGEN UPTAKE & REDUCES ADHESION OF EPITHELIUM TO CORNEAL STROMA...EXPT ON RABBITS...AFTER APPLICATION OF...LOCAL ANESTHETIC...BATHING EYES CONTINUOUSLY FOR 20 MIN WITH AQ SOLN CONTAINING...0.4% CHLOROBUTANOL PRODUCES DEFINITE KERATITIS EPITHELIALIS...IN CORNEA. ... FRESHLY PREPD SOLN @ PH 5.5 HAS CAUSED VISIBLE KERATITIS EPITHELIALIS AFTER 5 TO 10 MIN OF BATHING.CHLOROBUTANOL CAUSED 30% DECR IN CONTRACTION AMPLITUDE & 20% INCR IN ACTION-POTENTIAL DURATION. LOWERED CONDUCTION VELOCITY & INDUCED CONDUCTION FAILURE & AUTOMATICITY WITHIN ISOLATED VENTRICULAR MUSCLE STRIPS.INCR URINARY & HEPATIC CONCN OF D-GLUCURONIC ACID, L-ASCORBIC ACID, & D-GLUCARIC ACID WERE FOUND WITHIN 8 HR AFTER ADMIN OF CHLORBUTOL TO RATS.MALE RATS KEPT ON NORMAL DIETS SUPPLEMENTED WITH CHLORETONE (0.04%) PRODUCED CHOLESTEROLEMIC ACTIVITY, SIGNIFICANT INCR IN URINARY EXCRETION OF ASCORBIC ACID WAS FOUND WITH COEFFICIENT OF ANILINE HYDROXYLASE ACTIVITY OF 0.84.
TSCA 収載状態TSCA listed