1-Hexanol,3,5,5-trimethyl-, 1-acetate

Modify Date: 2025-08-25 18:49:16

1-Hexanol,3,5,5-trimethyl-, 1-acetate structure	Common Name	1-Hexanol,3,5,5-trimethyl-, 1-acetate
	CAS Number	58430-94-7	Molecular Weight	186.29100
	Density	0.87 g/cm3	Boiling Point	193.2ºC at 760 mmHg
	Molecular Formula	C₁₁H₂₂O₂	Melting Point	-26°C (estimate)
	MSDS	N/A	Flash Point	79ºC

Name	3,5,5-trimethylhexyl acetate
Synonym	More Synonyms

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
InChIKey	DGKXDLCVQSQVBC-UHFFFAOYSA-N
SMILES	CC(=O)OCCC(C)CC(C)(C)C

1-Hexanol,3,5,5-trimethyl-, 1-acetate MSDS(Chinese)

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

2,4,4-Trimethyl...

CAS#:107-39-1

acetic acid

CAS#:64-19-7

1-Hexanol,3,5,5...

CAS#:58430-94-7

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

Precursor 2
CAS#:107-39-1 2,4,4-Trimethyl... CAS#:64-19-7 acetic acid
DownStream 1
CAS#:4316-65-8 3,5,5-Trimethyl...

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

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1-Hexanol,3,5,5-trimethyl-, 1-acetate
Price: Check
Purity: 93.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

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%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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1-Hexanol,3,5,5-trimethyl-, 1-acetate

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.