UNII:1T84ZY4DN7

Modify Date: 2025-08-21 13:21:15

UNII:1T84ZY4DN7 Structure
UNII:1T84ZY4DN7 structure
 Common Name UNII:1T84ZY4DN7
CAS Number 123-04-6 Molecular Weight 148.674
Density 0.9±0.1 g/cm3 Boiling Point 173.4±8.0 °C at 760 mmHg
Molecular Formula C8H17Cl Melting Point -70 °C
MSDS N/A Flash Point 52.5±16.5 °C

 Names

Name 3-(Chloromethyl)heptane
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 173.4±8.0 °C at 760 mmHg
Melting Point -70 °C
Molecular Formula C8H17Cl
Molecular Weight 148.674
Flash Point 52.5±16.5 °C
Exact Mass 148.101883
LogP 4.51
Vapour Pressure 1.7±0.3 mmHg at 25°C
Index of Refraction 1.423
Water Solubility 0.0503 g/L (20 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI8760000
CHEMICAL NAME :
Heptane, 3-chloromethyl-
CAS REGISTRY NUMBER :
123-04-6
BEILSTEIN REFERENCE NO. :
1697456
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C8-H17-Cl
MOLECULAR WEIGHT :
148.70
WISWESSER LINE NOTATION :
G1Y4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,745,1969
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,102,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,102,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7340 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
15800 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 10 mg/m3 JAN 1993

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S37/39-S26
RTECS MI8760000
Packaging Group I; II; III
HS Code 2903199000

 Synthetic Route

2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

~97%

UNII:1T84ZY4DN7 Structure

UNII:1T84ZY4DN7

CAS#:123-04-6

Literature: Degussa AG Patent: US2006/205987 A1, 2006 ; Location in patent: Page/Page column 5 ;
2-Ethylhexyl chloroformate structure

2-Ethylhexyl ch...

CAS#:24468-13-1

~85%

UNII:1T84ZY4DN7 Structure

UNII:1T84ZY4DN7

CAS#:123-04-6

Literature: Richter, Reinhard; Tucker, Benjamin Journal of Organic Chemistry, 1983 , vol. 48, # 15 p. 2625 - 2627
Phosphorous acid,tris(2-ethylhexyl) ester structure

Phosphorous aci...

CAS#:301-13-3

N,N-diethyl-2-chloroacetamide structure

N,N-diethyl-2-c...

CAS#:2315-36-8

~0%

UNII:1T84ZY4DN7 Structure

UNII:1T84ZY4DN7

CAS#:123-04-6

2-[bis(2-ethylhexoxy)phosphoryl]-N,N-diethylacetamide structure

2-[bis(2-ethylh...

CAS#:66258-31-9

Literature: Chauzov, V. A.; Studnev, Yu. N.; Iznoskova, M. G.; Fokin, A. V. J. Gen. Chem. USSR (Engl. Transl.), 1987 , vol. 57, # 1 p. 110 - 113,93 - 95
2-Ethylhexanol structure

2-Ethylhexanol

CAS#:104-76-7

Phenyl phosphate structure

Phenyl phosphate

CAS#:115-86-6

Phenyl dichlorophosphate structure

Phenyl dichloro...

CAS#:770-12-7

Diphenyl chlorophosphate structure

Diphenyl chloro...

CAS#:2524-64-3

~%

Detail
Literature: EP1526137 A1, ; Page/Page column 5-6 ;

 Customs

HS Code 2903199000
Summary 2903199000 other saturated chlorinated derivatives of acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

Hexane, 1-chloro-2-ethyl-
3-chloromethyl-heptan
3-(CHLOROMETHYL)-HEPTANE
2-Aethyl-hexylchlorid
2-Ethylhexyl Chloride
UNII:1T84ZY4DN7
Heptane, 3- (chloromethyl)-
1-CHLORO-2-ETHYLHEXANE
EINECS 204-594-4
Isooctylchloride
MFCD00018940
3-(Chloromethyl)heptane
Chloro-iso-octane
3-Chlormethyl-heptan
Heptane, 3-(chloromethyl)-
Hexane, 1-chloro-2-ethyl-,
3-chloromethyl-heptane
Barchlor(R) 8I
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