4-Methyl-3-decen-5-ol

HCID 163336

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Basic information

CAS: 81782-77-6
Standard SMILES: CCC=C(C)C(O)CCCCC
InChIKey: WSTQLNQRVZNEDV-UHFFFAOYSA-N
Molecular formula: C11H22O
Average molar mass: 170.29 g/mol
Monoisotopic mass: 170.16706532

Overview

a fragrance ingredient; structure in first source

Names & identifiers

Preferred name: 4-Methyl-3-decen-5-ol
IUPAC: 4-methyldec-3-en-5-ol
English name: 4-Methyl-3-decen-5-ol
Molecular formula: C11H22O
Molecular weight: 170.29

Names & synonyms

4-Methyl-3-decen-5-ol3-Decen-5-ol, 4-methyl-DTXSID8052560RefChem:912670DTXCID5031133279-815-081782-77-64-methyl-3-decene-5-olSCHEMBL112320SCHEMBL28671445DB-075791UNDECAVERTOL

Show more names

4-Methyldec-3-en-5-olFIGOVERTviolet decenolUNII:5S5I61TY7PUndecavertol 94499034-methyl-3-decen-5-o(E)-4-methyl-3-decen-5-ol

Database identifiers

CAS: 81782-77-6
PubChem CID: 163336
DTXSID: DTXSID8052560
EC Number: 279-815-0

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 127

Experimental & physicochemical properties

FragrancesFragrance Ingredient (4-Methyl-3-decen-5-ol) -> IFRA transparency List

Physical DescriptionDry Powder; Liquid; Liquid; CBI

Physicochemical properties

Boiling point: 232.9 · 232.9±8.0 °C(Predicted)
Density: 0.845 · 0.845±0.06 g/cm3(Predicted)
vapor pressure: 1.1 Pa · 1.1Pa at 20℃
pka: 14.93 · 14.93±0.20(Predicted)
Odor: 100 % · at 100.00 % in dipropylene glycol. green oily violet lily seedy fruity kiwi
Odor Type: green
Viscosity: 18 mm2/s · 18mm2/s
Water Solubility: 63 mg/L · 63mg/L at 20℃
Cosmetics Ingredients Functions: FRAGRANCESKIN CONDITIONINGPERFUMING
LogP: 3.9 · 3.9
EWG's Food Scores: 1 · 1
FDA UNII: 5 S5I61TY7P · 5S5I61TY7P
EPA Substance Registry System: 3 · 3-Decen-5-ol, 4-methyl- (81782-77-6)
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H361-H372-H410
Precautionary statements: 201 · P201-P264-P280-P301+P330+P331-P312
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 10.7% (191 of 1777) of reports.

Warning

H400 (89.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1777 reports by companies from 9 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 5 items

Chemical: 3-Decen-5-ol, 4-methyl-

3-Decen-5-ol, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Decen-5-ol, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 28-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12744

3-Decen-5-ol, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAquatic Acute 1 (89.1%)