3,5,5-Trimethylhexanal

Modify Date: 2025-08-26 07:28:58

3,5,5-Trimethylhexanal structure	Common Name	3,5,5-Trimethylhexanal
	CAS Number	5435-64-3	Molecular Weight	142.23900
	Density	0.817 g/mL at 25 °C(lit.)	Boiling Point	67-68 °C2.5 mm Hg(lit.)
	Molecular Formula	C₉H₁₈O	Melting Point	N/A
	MSDS	Chinese USA	Flash Point	116 °F
	Symbol	GHS02, GHS07	Signal Word	Warning

Name	3,5,5-Trimethylhexanal
Synonym	More Synonyms

Density	0.817 g/mL at 25 °C(lit.)
Boiling Point	67-68 °C2.5 mm Hg(lit.)
Molecular Formula	C₉H₁₈O
Molecular Weight	142.23900
Flash Point	116 °F
Exact Mass	142.13600
PSA	17.07000
LogP	2.64770
Index of Refraction	n20/D 1.421(lit.)
InChIKey	WTPYRCJDOZVZON-UHFFFAOYSA-N
SMILES	CC(CC=O)CC(C)(C)C

3,5,5-Trimethylhexanal MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MN7820000

CHEMICAL NAME :: Hexanal, 3,5,5-trimethyl-

CAS REGISTRY NUMBER :: 5435-64-3

BEILSTEIN REFERENCE NO. :: 1740882

LAST UPDATED :: 199712

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C9-H18-O

MOLECULAR WEIGHT :: 142.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,841,1982 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3240 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,841,1982

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >2500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,841,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7970 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H315-H317-H412
Precautionary Statements	P273-P280
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi
Risk Phrases	10-36/37/38
Safety Phrases	S16-S26-S36/37/39
RIDADR	UN 1989 3/PG 3
WGK Germany	1
RTECS	MN7820000
Packaging Group	III
Hazard Class	3.2
HS Code	2912190090

HS Code	2912190090
Summary	2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

gem-Dithiols1. Cairns TL, et al.

J. Am. Chem. Soc. 74(16) , 3982-89, (1952)

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

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3,5,5-trimethylhexanal

EINECS 226-603-0

MFCD00010441

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3,5,5-Trimethylhexanal
Price: Check
Purity: 95.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3,5,5-Trimethylhexanal
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 3,5,5-Trimethylhexanal
Price: ￥158.0/25ml ￥428.0/100ml
Purity: 95.0%
Delivery: 3 Day
Contact: Liu jia
Email: 2130147988@qq.com

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3,5,5-Trimethylhexanal

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3,5,5-TrimethylhexanalBioassay

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