1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane

Modify Date: 2025-08-21 22:54:18

1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Structure
1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane structure
Common Name 1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane
CAS Number 6731-36-8 Molecular Weight 302.449
Density 1.0±0.1 g/cm3 Boiling Point 312.2±12.0 °C at 760 mmHg
Molecular Formula C17H34O4 Melting Point -20 °C
MSDS Chinese USA Flash Point 108.7±19.4 °C
Symbol GHS01 GHS02
GHS01, GHS02
Signal Word Danger

 Names

Name 1,1-Di-(tert-butylperoxy)-3,3,5-trimethylcyclohexane
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 312.2±12.0 °C at 760 mmHg
Melting Point -20 °C
Molecular Formula C17H34O4
Molecular Weight 302.449
Flash Point 108.7±19.4 °C
Exact Mass 302.245697
PSA 36.92000
LogP 6.91
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.453
InChIKey NALFRYPTRXKZPN-UHFFFAOYSA-N
SMILES CC1CC(C)(C)CC(OOC(C)(C)C)(OOC(C)(C)C)C1
Storage condition Refrigerator (+4°C)
Water Solubility immiscible

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SD8600000
CHEMICAL NAME :
Peroxide, (3,3,5-trimethylcyclohexylidene)bis((1,1-dimethylethy l)
CAS REGISTRY NUMBER :
6731-36-8
LAST UPDATED :
199707
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C17-H34-O4
MOLECULAR WEIGHT :
302.51

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12918 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (110),42,1992 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
109 gm/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (110),42,1992

 Safety Information

Symbol GHS01 GHS02
GHS01, GHS02
Signal Word Danger
Hazard Statements H241-H413
Precautionary Statements P220-P261-P280-P305 + P351 + P338-P410 + P412
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes O:Oxidizingagent;
Risk Phrases R7
Safety Phrases S7-S17-S36/37/39-S3/7-S28B-S26-S14A-S14-S47-S61-S45-S53
RIDADR UN 3110 5.2
WGK Germany 3
RTECS SD8600000
Packaging Group II
Hazard Class 5.2
HS Code 2909600000

 Synthetic Route

~63%

1,1-Bis(t-butylperoxy)-3,3,5-trimethylcyclohexane Structure

1,1-Bis(t-butyl...

CAS#:6731-36-8

Literature: Ehrfeld Mikrotechnik BTS GmbH; Pergan Hilfsstoffe Fur Industrielle Prozesse GmbH Patent: US2009/43122 A1, 2009 ; Location in patent: Page/Page column 6 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2909600000
Summary 2909600000 alcohol peroxides, ether peroxides, ketone peroxides and their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Articles9

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[13-week subchronic toxicity study of 1,1-bis(t-butylperoxy) 3,3,5-trimethyl cyclohexane in mice].

Eisei Shikenjo Hokoku. (110) , 42-8, (1992)

A 13-week subchronic toxicity study of 1,1-bis(t-butylperoxy)3,3,5-trimethyl cyclohexane (TMCH) was performed in male and female B6C3F1 mice by feeding a CRF-1 powder diet containing 0, 0.5, 1.0, 2.0 ...

 Synonyms

1,1-bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane
luperco231g
luperco231xl
MFCD00084801
perhexa3m
lupersol231
EINECS 229-782-3
1,1-di-tert.-butyl peroxy-3,3,5-trimethyl cyclohexane
trigonox 29
1,1,5-Trimethyl-3,3-bis[(2-methyl-2-propanyl)peroxy]cyclohexane
TMCH
LUPEROX 231
VAROX 231
perhexa3m40
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