Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1-Hexanol,3,5,5-trimethyl-, 1-acetate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

Henan Tianfu Chemical Co., Ltd.
China
Product Name: TIANFU-CHEM - 3,5,5-TRIMETHYLHEXYL ACETATE
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Stocking Period: Inquiry
Contact: Anson

58430-94-7

58430-94-7 structure

58430-94-7 structure

Name: 1-Hexanol,3,5,5-trimethyl-, 1-acetate
Chemical Name: 3,5,5-trimethylhexyl acetate
CAS Number: 58430-94-7
Molecular Formula: C₁₁H₂₂O₂
Molecular Weight: 186.29100
Catalog: Flavors and spices Synthetic spice Carboxylic acid and ester perfume Aliphatic carboxylate
Create Date: 2018-08-13 08:24:24
Modify Date: 2024-01-03 15:43:05

Name	3,5,5-trimethylhexyl acetate
Synonyms	3,5,5-trimethyl-1-hexanol acetate EINECS 261-245-9 3,5,5-Trimethylhexan-1-ol acetate ACETIC ACID,3,5,5-TRIMETHYLHEXYL ESTER 1-Hexanol,3,5,5-trimethyl-,acetate iso-nonyl acetate Nonanyl acetate

Density	0.87 g/cm3
Boiling Point	193.2ºC at 760 mmHg
Melting Point	-26°C (estimate)
Molecular Formula	C₁₁H₂₂O₂
Molecular Weight	186.29100
Flash Point	79ºC
Exact Mass	186.16200
PSA	26.30000
LogP	3.01190
Index of Refraction	1.424

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AK0840000

CHEMICAL NAME :: Acetic acid, 3,5,5-trimethylhexyl ester

CAS REGISTRY NUMBER :: 58430-94-7

BEILSTEIN REFERENCE NO. :: 1758391

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H22-O2

MOLECULAR WEIGHT :: 186.33

WISWESSER LINE NOTATION :: 1X1&1&1Y1&2OV1

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 :: 4250 mg/kg

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

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,1009,1974

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

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

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,1009,1974

RTECS	AK0840000

107-39-1 structure

107-39-1

64-19-7 structure

64-19-7

~%

58430-94-7 structure

58430-94-7

Literature: Journal of the American Chemical Society, , vol. 74, p. 3242 US2549455 , ;

Precursor 2
107-39-1 64-19-7
DownStream 1
4316-65-8