All Trans Retinal

CAS 116-31-4C20H28OMW 284.4

All Trans Retinal (CAS 116-31-4) — formula C20H28O, molecular weight 284.4.

Specifications

CAS Number116-31-4

Molecular FormulaC20H28O

Molecular Weight284.4

Melting Point63 °C

LogP6.2

ApplicationsGeneral Manufacturing Information: Retinal: ACTIVE

Where it is used

Documented applications: General Manufacturing Information: Retinal: ACTIVE.

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What this product is

All Trans Retinal is a chemical compound with CAS registry number 116-31-4 and molecular formula C20H28O (molecular weight 284.4).

Identification

CAS number: 116-31-4

Its molecular formula C20H28O comprises 20 C, 28 H, 1 O atoms.

Also known as: All Trans Retinal · Retinal

Frequently Asked Questions

What is the CAS number of All Trans Retinal?

The CAS registry number of All Trans Retinal is 116-31-4.

What is the molecular formula and molecular weight of All Trans Retinal?

Molecular formula C20H28O, molecular weight 284.4.

What other names is All Trans Retinal known by?

It is also registered under: All Trans Retinal, Retinal.

What are the documented applications of All Trans Retinal?

Recorded applications: General Manufacturing Information: Retinal: ACTIVE.

PubChem Public Data

Public-database records for All Trans Retinal (CAS 116-31-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statements	H302 (28.6%), H315 (29.3%), H360 (72.1%), H413 (72.1%)

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (29.3%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food Contact	CIR / INCI: Personal care product

Physical description and handling notes

Solid
170.1 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
165.39 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
172.42 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Reported physical properties

熔点	63 °C

How this substance is indexed

CAS Registry Number	116-31-4
PubChem CID	638015
分子式	C20H28O
IUPAC 名称	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
UNII（FDA）	RR725D715M

Documented uses

Retinal has known human metabolites that include Tretinoin.
Retinal is a known human metabolite of retinol.

Names this substance appears under

all-trans-Retinal; retinal; trans-Retinal; 116-31-4; retinaldehyde; vitamin A aldehyde; retinene; axerophthal; all-E-Retinal; E-Retinal; Retinene 1; all-trans-Retinaldehyde; Vitamin A1 aldehyde; all-trans-Vitamin A aldehyde; all-trans-Retinene; Retinyl aldehyde

Computed molecular descriptors

分子量	284.4
XLogP3	6.2
氢键供体数	0
氢键受体数	1
可旋转键数	5
精确质量	284.214015512
单同位素质量	284.214015512
拓扑极性表面积	17.1
重原子数	21
形式电荷	0

Database abstract

All Trans Retinal · CAS 116-31-4 · C20H28O. UNII RR725D715M. 熔点: 63 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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