CAS 774-55-0 6-Acetyltetralin (HCID 69885)

Names & identifiers

Preferred name: 6-Acetyltetralin
IUPAC: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
English name: 6-Acetyltetrahydronaphthalene
Molecular formula: C12H14O
Molecular weight: 174.24

Names & synonyms

774-55-01-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone6-Acetyltetralin6-ACETYL-1,2,3,4-TETRAHYDRONAPHTHALENE6-Acetyl tetralinEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-DTXSID0047163UNII-6L3DBR6DE66L3DBR6DE6FLORANTON2-acetyl-5,6,7,8-tetrahydronaphthaleneNSC 5179

Show more names

acetyl tetralinAKOS BBS-000067752-Acetyl-5,6,7,8-T1-tetralin-6-ylethanone6-Acetyltetrahydronaphthalene6-ACETYLTETRAHYDRONAPHTHALENE 97%5,6,7,8-TETRAHYDRO-2-ACETONAPHTHONEAcetyl-1,2,3,4-tetrahydronaphthalene

NSC-5179EINECS 212-266-71-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-oneAI3-10031DTXCID80271635',6',7',8'-Tetrahydro-2'-acetonaphthone5,6,7,8-TETRAHYDRONAPHTH-2-YL METHYL KETONE2'-ACETONAPHTHONE, 5',6',7',8'-TETRAHYDRO-

Database identifiers

CAS: 774-55-0
PubChem CID: 69885
DTXSID: DTXSID0047163
ChEMBL: CHEMBL3188542
UNII: 6L3DBR6DE6
EC Number: 212-266-7
Nikkaji: J193.160A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 197

Experimental & physicochemical properties

FragrancesFragrance Ingredient (1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone) -> IFRA transparency List

Physicochemical properties

Melting point: -21 °C · -21°C
Boiling point: 119 · 119-121°C 2mm
Density: 1 · 1,058 g/cm3
vapor pressure: 0.093 · 0.093-0.18Pa at 20-25℃
refractive index: 1.561 · 1.5610
Flash point: 119 · 119-121°C/2mm
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
Odor: 100 % · at 100.00 %. floral orangeflower musk grape
Odor Type: floral
Water Solubility: Slightly soluble in water.
BRN: 1241458 · 1241458
InChI: 1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3
InChIKey: VEPUKHYQNXSSKV-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc2CCCCc2c1
LogP: 3.4 at · 3.4 at 35℃
CAS DataBase Reference: 774 · 774-55-0(CAS DataBase Reference)
FDA UNII: 6 L3DBR6DE6 · 6L3DBR6DE6
EPA Substance Registry System: 1 · Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)- (774-55-0)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,N
Risk Statements: 22 · 22-51/53
Safety Statements: 61 · 61
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 9 · 9
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 76.9% (223 of 290) of all reports.

Warning

H302 (14.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 290 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-

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

Status: Active Update: 25-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24384

Other Safety InformationIMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment

Hazard Classes and CategoriesAcute Tox. 4 (14.1%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
risk_code: 22-51/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,N
safety_code: 61
hazard_class: 9
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use ClassificationFragrance Ingredients

General Manufacturing InformationEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-: ACTIVE

Applications · 1 item

Uses6-Acetyl-1,2,3,4-tetrahydronaphthalene, is used asa novel methyl anthranilate yet extremely stable and resistant to discoloration. It is used in liquid detergent, concentrated fabric softner, alcoholic fine fragrances, antiperspirants. It is also used as a pharmaceutical intermediate.