2-Octyl-2H-isothiazol-3-one

Modify Date: 2024-01-02 15:39:58

2-Octyl-2H-isothiazol-3-one Structure
2-Octyl-2H-isothiazol-3-one structure
Common Name 2-Octyl-2H-isothiazol-3-one
CAS Number 26530-20-1 Molecular Weight 213.340
Density 1.0±0.1 g/cm3 Boiling Point 304.5±25.0 °C at 760 mmHg
Molecular Formula C11H19NOS Melting Point 23 °C
MSDS Chinese USA Flash Point 137.9±23.2 °C
Symbol GHS05 GHS06 GHS09
GHS05, GHS06, GHS09
Signal Word Danger

 Names

Name octhilinone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 304.5±25.0 °C at 760 mmHg
Melting Point 23 °C
Molecular Formula C11H19NOS
Molecular Weight 213.340
Flash Point 137.9±23.2 °C
Exact Mass 213.118729
PSA 50.24000
LogP 3.77
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.519
Storage condition Refrigerator
Stability Stable. Incompatible with strong oxidizing agents.
Water Solubility <0.1 g/100 mL at 19 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8156900
CHEMICAL NAME :
4-Isothiazolin-3-one, 2-octyl-
CAS REGISTRY NUMBER :
26530-20-1
LAST UPDATED :
199710
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C11-H19-N-O-S
MOLECULAR WEIGHT :
213.37
WISWESSER LINE NOTATION :
T5SNVJ B8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
MosJN# Personal Communication from J.N. Moss, Toxicology Dept., Rohm and Haas Co., Spring House, PA 19477, Aug. 15, 1979 Volume(issue)/page/year: 15AUG1979
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
MosJN# Personal Communication from J.N. Moss, Toxicology Dept., Rohm and Haas Co., Spring House, PA 19477, Aug. 15, 1979 Volume(issue)/page/year: 15AUG1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MosJN# Personal Communication from J.N. Moss, Toxicology Dept., Rohm and Haas Co., Spring House, PA 19477, Aug. 15, 1979 Volume(issue)/page/year: 15AUG1979
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JALCAQ Journal of the American Leather Chemists' Association. (American Leather Chemists' Association, Tanners' Council Research Laboratory, Room 10, Campus Station, Cincinnati, OH 45221) V.1- 1906- Volume(issue)/page/year: 74,322,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
690 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MosJN# Personal Communication from J.N. Moss, Toxicology Dept., Rohm and Haas Co., Spring House, PA 19477, Aug. 15, 1979 Volume(issue)/page/year: 15AUG1979 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1443 No. of Facilities: 237 (estimated) No. of Industries: 4 No. of Occupations: 7 No. of Employees: 2782 (estimated) No. of Female Employees: 23 (estimated)

 Safety Information

Symbol GHS05 GHS06 GHS09
GHS05, GHS06, GHS09
Signal Word Danger
Hazard Statements H302-H311 + H331-H314-H317-H410
Precautionary Statements P261-P273-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic
Risk Phrases R22;R23/24;R34;R43;R50/53
Safety Phrases S1/2-S26-S36/37/39-S45-S60-S61
RIDADR 2922
RTECS NX8156900
Packaging Group III
Hazard Class 8
HS Code 3808940090

 Synthetic Route

~71%

2-Octyl-2H-isothiazol-3-one Structure

2-Octyl-2H-isot...

CAS#:26530-20-1

Literature: Chemicrea Inc. Patent: EP1113012 A1, 2001 ;

~18%

2-Octyl-2H-isothiazol-3-one Structure

2-Octyl-2H-isot...

CAS#:26530-20-1

Literature: Beijing Tianqing Chemicals Co. Ltd. Patent: US2008/227986 A1, 2008 ; Location in patent: Page/Page column 3 ;

~69%

2-Octyl-2H-isothiazol-3-one Structure

2-Octyl-2H-isot...

CAS#:26530-20-1

Literature: Chemicrea Inc. Patent: EP1113012 A1, 2001 ;

~%

2-Octyl-2H-isothiazol-3-one Structure

2-Octyl-2H-isot...

CAS#:26530-20-1

Literature: Lewis,S.N. et al. Journal of Heterocyclic Chemistry, 1971 , vol. 8, p. 571 - 580

~%

2-Octyl-2H-isothiazol-3-one Structure

2-Octyl-2H-isot...

CAS#:26530-20-1

Literature: Lewis,S.N. et al. Journal of Heterocyclic Chemistry, 1971 , vol. 8, p. 571 - 580

 Customs

HS Code 2934100017
Summary 2934100017 2-octylisothiazol-3(2h)-one。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

 Articles16

More Articles
Contact dermatitis from 2-n-octyl-4-isothiazolin-3-one in a PhD student.

Contact Dermatitis 50(1) , 47-8, (2004)

Allergic contact dermatitis from 2-n-octyl-4-isothiazolin-3-one, a paint mildewcide.

Contact Dermatitis 9(6) , 507-9, (1983)

Severe allergic contact dermatitis from a paint mildewcide, 2-n-octyl-4-isothiazolin-3-one, developed in a worker formulating latex paints within a paint manufacturing company, Guinea pig maximization...

[Allergic contact eczema caused by isothiazolin-3-one derivatives].

Derm. Beruf Umwelt. 32(6) , 208-11, (1984)

Observations concerning contact dermatitis to derivatives of isothiazolin-3-one are reported. A systematic review of the literature of previously published cases is reported. A verified contact dermat...

 Synonyms

3(2H)-Isothiazolone,2-octyl
2-Octyl-4-isothiazolin-3-one
octhilinone [ANSI]
2-n-octyl-3-isothiazolone
3(2H)-Isothiazolone, 2-octyl-
Pancil
T5SNVJ B8
Micro-chek skane
2-n-Octyl-4-isothiazolin-3-one
Kathon SP 70
2-Octyl-3(2H)-isothiazolone,Octhilinone
2-Octyl-3-isothiazolone
2-octyl-2H-isothiazol-3-one
2-octyl-1,2-thiazol-3-one
MFCD00072473
2-octylisothiazol-3(2H)-one
EINECS 247-761-7
2-Octyl-1,2-thiazol-3(2H)-one
Octhilinone
2-octylisothiazolin-3-one
Skane 8
2-Octyl-3(2H)-isothiazolone
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